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[ CAS No. 127733-40-8 ] {[proInfo.proName]}

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Chemical Structure| 127733-40-8
Chemical Structure| 127733-40-8
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Quality Control of [ 127733-40-8 ]

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Product Details of [ 127733-40-8 ]

CAS No. :127733-40-8 MDL No. :MFCD03093013
Formula : C10H9F6N Boiling Point : -
Linear Structure Formula :- InChI Key :PFVWEAYXWZFSSK-YFKPBYRVSA-N
M.W : 257.18 Pubchem ID :1512509
Synonyms :

Calculated chemistry of [ 127733-40-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.4
Num. rotatable bonds : 3
Num. H-bond acceptors : 7.0
Num. H-bond donors : 1.0
Molar Refractivity : 48.93
TPSA : 26.02 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.77 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.35
Log Po/w (XLOGP3) : 2.95
Log Po/w (WLOGP) : 5.72
Log Po/w (MLOGP) : 3.87
Log Po/w (SILICOS-IT) : 3.74
Consensus Log Po/w : 3.73

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.36
Solubility : 0.113 mg/ml ; 0.00044 mol/l
Class : Soluble
Log S (Ali) : -3.16
Solubility : 0.178 mg/ml ; 0.000694 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.25
Solubility : 0.0144 mg/ml ; 0.0000561 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.05

Safety of [ 127733-40-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 127733-40-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 127733-40-8 ]

[ 127733-40-8 ] Synthesis Path-Downstream   1~23

  • 1
  • [ 127733-38-4 ]
  • N-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethyl]-O-methyl-hydroxylamine [ No CAS ]
  • [ 127733-40-8 ]
  • [ 127733-47-5 ]
  • 2
  • [ 384824-41-3 ]
  • [ 127733-40-8 ]
YieldReaction ConditionsOperation in experiment
5%-palladium/activated carbon; In methanol; at 60℃; under 1500.15 Torr; for 22.0h;Heating; 13.3 g (24.95 mmol, 1 eq) of the p-toluenesulfonate of optically active secondary amine (4a) purified with reference to Example 36 (4a.p-toluenesulfonate, 99.6% de, major form: S-S form) and 100 ml (50 mmol, 2 eq) of 0.5 N aqueous NaOH were added to 50 ml of toluene, followed by stirring for 30 minutes at room temperature, separating statically, extracting the recovered aqueous layer with toluene, washing the combined recovered organic layers with saturated brine, drying with an hydrous sodium sulfate, filtering, concentrating and vacuum drying to obtain an optically active secondary amine (4a) having the structure indicated below at the quantitative yield. [C00047] [00196] The resulting 4a was dissolved in 26 ml of methanol, followed by the addition of 0.45 g (0.125 wt %) of 5% palladium/active carbon (water content: 50 wt %), setting the hydrogen pressure to 0.2 MPa and stirring for 22 hours at 60 C. Following completion of the reaction, the reaction liquid was filtered with Celite, concentrated and vacuum dried to obtain a crude product of optically active 1-(3, 5-bis-trifluoromethylphenyl)ethylamine (5a) having the structure indicated below at the quantitative yield. The crude product was purified by simple distillation (96-97 C./31 mmHg) to obtain 5.41 g of a highly pure product (total yield for the two steps: 84%). GC purity and ee were 99.4% and 99.4% ee, respectively.
  • 3
  • [ 127733-40-8 ]
  • [ 742097-64-9 ]
  • Thiazole-4-carboxylic acid (4-{3-[(S)-1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-thioureido}-phenyl)-amide [ No CAS ]
  • 4
  • [ 127733-40-8 ]
  • [ 742097-66-1 ]
  • [1,2,3]Thiadiazole-4-carboxylic acid (4-{3-[(S)-1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-thioureido}-phenyl)-amide [ No CAS ]
  • 5
  • [ 127733-40-8 ]
  • [ 742097-78-5 ]
  • N-(5-[({(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}amino)carbothioyl]amino}-2-pyridinyl)-1,2,3-thiadiazole-4-carboxamide [ No CAS ]
  • 6
  • [ 127733-40-8 ]
  • [ 273384-73-9 ]
  • N-(5-[({(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}amino)carbothioyl]amino}-2-pyridinyl)-1,3-thiazole-4-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
In acetonitrile; EXAMPLE 91(.) N-(5-[({(1 S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}amino)carbothioyl]amino}-2-pyridinyl)-1,3-thiazole-4-carboxamide A mixture of N-(5-isothiocyanato-2-pyridinyl)-1,3-thiazole-4-carboxamide (0.36 g) and (S)-alpha-methyl-3,5-bis(trifluoromethyl)-benzenemethanamine (0.36 g) is heated with acetonitrile (10 mL) until all solids are dissolved. The solution is allowed to stand for 12 hours. A white solid forms and is collected by filtration (0.40 g). [M+H] 520.
  • 9
  • [ 672906-98-8 ]
  • [ 127733-40-8 ]
  • 10
  • [ 127733-40-8 ]
  • [ 127733-47-5 ]
  • [ 104-15-4 ]
  • [ 384824-36-6 ]
  • C7H8O3S*C10H9F6N [ No CAS ]
YieldReaction ConditionsOperation in experiment
In hexane; toluene; at 20 - 70℃; for 24.5h; 1.02 g (3.97 mmol, 1 eq) of optically active 1-(3,5-bis-trifluoromethylphenyl)ethylamine (5a, enantiomer ratio/S form:R form=7.4:1) and 0.68 g (3.59 mmol, 0.9 eq) of p-toluenesulfonic acid monohydrate were added to 6.5 ml of toluene, followed by stirring for 30 minutes at 60-70 C., the addition of 6 ml of n-hexane and allowing to cool to room temperature and stand for one day. The precipitated crystals were filtered, washed with a small amount of n-hexane and vacuum dried to obtain 0.20 g of crystals having the structure represented by the formula below and 1.44 g of mother liquor. They were converted to the free bases with 0.5 N aqueous NaOH and analyzed by chiral GC. With this, respective ee were found to be 82.7% ee (major form is the S form) and 74.2% ee (major form is the S form). [C00039] [00180] 1H-NMR (TMS, DMSO): 1.54 (d, 6.8 Hz, 3H), 2.28 (s, 3H), 4.69 (q, 6.8 Hz, 1H), 7.10 (d, 8.3 Hz, 2H), 7.46 (d, 8.3 Hz, 2H), 8.17 (s, 1H), 8.23 (s, 2H), 8.30 (br, 31).
  • 11
  • [ 147-71-7 ]
  • [ 127733-40-8 ]
  • [ 127733-47-5 ]
  • [ 384824-37-7 ]
  • C4H6O6*C10H9F6N [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol; for 12.5h;Heating / reflux; 0.94 g (3.64 mmol, 1 eq) of optically active 1-(3,5-bis-trifluoromethylphenyl)ethylamine (5a, enantiomer ratio/S form:R form=7.4:1) and 0.55 g (3.64 mmol, 1 eq) of d-tartaric acid were added to 30 ml of methanol, followed by stirring for 30 minutes under reflux, allowing to cool to room temperature and stand for one half day. The precipitated crystals were filtered, washed with a small amount of methanol and vacuum dried to obtain 1.01 g of crystals having the structure represented by the formula below and 0.48 g of mother liquor. They were converted to the free bases with 0.5 N aqueous NaOH and analyzed by chiral GC. With this, respective ee were found to be 91.4% ee (major form is the S form) and 43.8% ee (major form is the S form). [C00040] [00182] 1H-NMR (TMS, DMSO): 1.45 (d, 6.8 Hz, 3H), 3.92 (s, 2H), 4.52 (q, 6.8 Hz, 1H), 6408 (s, 1H), 8.19 (s, 2H).
  • 12
  • [ 17199-29-0 ]
  • [ 127733-40-8 ]
  • [ 127733-47-5 ]
  • [ 384824-39-9 ]
  • C8H8O3*C10H9F6N [ No CAS ]
YieldReaction ConditionsOperation in experiment
In hexane; toluene; for 48.5h;Heating / reflux; 0.64 g (2.49 mmol, 1 eq) of optically active 1-(3,5-bis-trifluoromethylphenyl)ethylamine (5a, enantiomer ratio/S form:R form=3.8:1) and 0.17 g (1.12 mmol, 0.45 eq) of (S)-mandelic acid were added to 3 ml of toluene, followed by stirring for 30 minutes under reflux, the addition of 1.5 ml of n-hexane and allowing to cool to room temperature and stand for 2 days in a refrigerator. The precipitated crystals were filtered, washed with a small amount of n-hexane and vacuum dried to obtain 0.53 g of crystals having the structure represented by the formula below and 0.28 g of mother liquor. They were converted to the free bases with 0.5 N aqueous NaOH and analyzed by chiral GC. With this, respective ee were found to be 96.1% ee (major form is the S form) and 4.7% ee (major form is the S form). [C00041] [00184] 1H-NMR (TMS, DMSO): 1.39 (d, 6.8 Hz, 3H), 4.41 (q, 6.5 Hz, 1H), 4.71 (d, 2.0 Hz, 1H), 7.19 (t, 7.3 Hz, 1H), 7.26 (t, 7.3 Hz, 2H), 7.36 (d, 7.3 Hz, 2H), 8.01 (s, 1H), 8.15 (s, 2H).Example 33Recrystallization Purification by (s)-Mandelic Acid Salt of Optically Active 1-(3.5-Bis-trifluoromethylphenyl)ethylamine (5a) [00185] 0.80 g (3.10 mmol, 1 eq) of optically active 1-(3,5-bis-trifluoromethylphenyl)ethylamine (5a, enantiomer ratio/S form:R form=8.8:1) and 0.47 g (3.09 mmol, 1 eq) of (S)-mandelic acid were added to 4.5 ml of toluene, followed by stirring for 30 minutes under reflux, the addition of 1.8 ml of n-hexane, allowing to cool to room temperature, adding seed crystals and allowing to stand for 3 hours. The precipitated crystals were filtered, washed with a small amount of a-hexane and vacuum dried to obtain 0.89 g of crystals having the structure represented by the formula below and 0.35 g of mother liquor. They were converted to the free bases with 0.5 N aqueous NaOH and analyzed by chiral GC. With this, respective ee were found to be 90.7% ee (major form is the S form) and 58.1% ee (major form is the S form). [C00042] [00186] The 1H-NMR spectrum was the same as that of Example 32.
In toluene; at 20 - 80℃; for 1.5h;Heating; 0.89 g of (S)-mandelic acid salt of optically active 1-(3,5-bis-trifluoromethylphenyl)ethylamine (5a) (5a (S)-mandelate, enantiomer ratio/S form:R form=95.5:4.5) were added to 10 ml of toluene, followed by stirring for 30 minutes at 80 C. and allowing to cool to room temperature and stand for 1 hour. The precipitated crystals were filtered, washed with a small amount of toluene and vacuum dried to obtain 0.71 g of crystals having the structure represented by the formula below and 0.18 g of mother liquor. They were converted to the free bases with 0.5 N aqueous NaOH and analyzed by chiral GC. With this, respective ee were found to be 99.7% ee (major form is the S form) and 82.7% ee (major form is the S form). [C00043] [00188] The 1H-NMR spectrum was the same as that of Example 32.
  • 13
  • [ 384824-41-3 ]
  • [ 511256-29-4 ]
  • [ 127733-40-8 ]
  • [ 127733-47-5 ]
YieldReaction ConditionsOperation in experiment
75% With hydrogen;5%-palladium/activated carbon; In ethanol; at 55℃; under 1500.15 Torr; for 12.0h; [00108] 181 mg (0.5 mmol) of the crude product of optically active secondary amine (4a) produced in Example 7 and 18 mg (0.25 wt %) of 5% palladium/active carbon (water content: 50 wt %) were added to 2 ml of ethanol followed by setting the hydrogen pressure to 0.2 MPa and stirring for 12 hours at 55 C. Following completion of the reaction, the reaction liquid was filtered with Celite, concentrated and vacuum dried to obtain 96 mg of a crude product of the optically active 1-(3,5-bis-trifluoromethylphenyl)ethylamine (5a) represented by the following formula: [C00016] [00109] The yield was 75%. Conversion, selectivity at the cleavage position (the previously mentioned a:b) and optical purity of the crude product were determined by chiral GC, and found to be 99%, a:b=1:99 and 76% ee, respectively.
  • 14
  • [ 384824-36-6 ]
  • C7H8O3S*C10H9F6N [ No CAS ]
  • [ 127733-40-8 ]
  • [ 127733-47-5 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide; In water; 1.02 g (3.97 mmol, 1 eq) of optically active 1-(3,5-bis-trifluoromethylphenyl)ethylamine (5a, enantiomer ratio/S form:R form=7.4:1) and 0.68 g (3.59 mmol, 0.9 eq) of p-toluenesulfonic acid monohydrate were added to 6.5 ml of toluene, followed by stirring for 30 minutes at 60-70 C., the addition of 6 ml of n-hexane and allowing to cool to room temperature and stand for one day. The precipitated crystals were filtered, washed with a small amount of n-hexane and vacuum dried to obtain 0.20 g of crystals having the structure represented by the formula below and 1.44 g of mother liquor. They were converted to the free bases with 0.5 N aqueous NaOH and analyzed by chiral GC. With this, respective ee were found to be 82.7% ee (major form is the S form) and 74.2% ee (major form is the S form). [C00039] [00180] 1H-NMR (TMS, DMSO): 1.54 (d, 6.8 Hz, 3H), 2.28 (s, 3H), 4.69 (q, 6.8 Hz, 1H), 7.10 (d, 8.3 Hz, 2H), 7.46 (d, 8.3 Hz, 2H), 8.17 (s, 1H), 8.23 (s, 2H), 8.30 (br, 31).
  • 15
  • [ 384824-37-7 ]
  • C4H6O6*C10H9F6N [ No CAS ]
  • [ 127733-40-8 ]
  • [ 127733-47-5 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide; In water; 0.94 g (3.64 mmol, 1 eq) of optically active 1-(3,5-bis-trifluoromethylphenyl)ethylamine (5a, enantiomer ratio/S form:R form=7.4:1) and 0.55 g (3.64 mmol, 1 eq) of d-tartaric acid were added to 30 ml of methanol, followed by stirring for 30 minutes under reflux, allowing to cool to room temperature and stand for one half day. The precipitated crystals were filtered, washed with a small amount of methanol and vacuum dried to obtain 1.01 g of crystals having the structure represented by the formula below and 0.48 g of mother liquor. They were converted to the free bases with 0.5 N aqueous NaOH and analyzed by chiral GC. With this, respective ee were found to be 91.4% ee (major form is the S form) and 43.8% ee (major form is the S form). [C00040] [00182] 1H-NMR (TMS, DMSO): 1.45 (d, 6.8 Hz, 3H), 3.92 (s, 2H), 4.52 (q, 6.8 Hz, 1H), 6408 (s, 1H), 8.19 (s, 2H).
  • 16
  • [ 384824-39-9 ]
  • C8H8O3*C10H9F6N [ No CAS ]
  • [ 127733-40-8 ]
  • [ 127733-47-5 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide; In water; 0.64 g (2.49 mmol, 1 eq) of optically active 1-(3,5-bis-trifluoromethylphenyl)ethylamine (5a, enantiomer ratio/S form:R form=3.8:1) and 0.17 g (1.12 mmol, 0.45 eq) of (S)-mandelic acid were added to 3 ml of toluene, followed by stirring for 30 minutes under reflux, the addition of 1.5 ml of n-hexane and allowing to cool to room temperature and stand for 2 days in a refrigerator. The precipitated crystals were filtered, washed with a small amount of n-hexane and vacuum dried to obtain 0.53 g of crystals having the structure represented by the formula below and 0.28 g of mother liquor. They were converted to the free bases with 0.5 N aqueous NaOH and analyzed by chiral GC. With this, respective ee were found to be 96.1% ee (major form is the S form) and 4.7% ee (major form is the S form). [C00041] [00184] 1H-NMR (TMS, DMSO): 1.39 (d, 6.8 Hz, 3H), 4.41 (q, 6.5 Hz, 1H), 4.71 (d, 2.0 Hz, 1H), 7.19 (t, 7.3 Hz, 1H), 7.26 (t, 7.3 Hz, 2H), 7.36 (d, 7.3 Hz, 2H), 8.01 (s, 1H), 8.15 (s, 2H).Example 33Recrystallization Purification by (s)-Mandelic Acid Salt of Optically Active 1-(3.5-Bis-trifluoromethylphenyl)ethylamine (5a) [00185] 0.80 g (3.10 mmol, 1 eq) of optically active 1-(3,5-bis-trifluoromethylphenyl)ethylamine (5a, enantiomer ratio/S form:R form=8.8:1) and 0.47 g (3.09 mmol, 1 eq) of (S)-mandelic acid were added to 4.5 ml of toluene, followed by stirring for 30 minutes under reflux, the addition of 1.8 ml of n-hexane, allowing to cool to room temperature, adding seed crystals and allowing to stand for 3 hours. The precipitated crystals were filtered, washed with a small amount of a-hexane and vacuum dried to obtain 0.89 g of crystals having the structure represented by the formula below and 0.35 g of mother liquor. They were converted to the free bases with 0.5 N aqueous NaOH and analyzed by chiral GC. With this, respective ee were found to be 90.7% ee (major form is the S form) and 58.1% ee (major form is the S form). [C00042] [00186] The 1H-NMR spectrum was the same as that of Example 32.Example 34Recrystallization Purification by (S)-Mandelic Acid Salt of Optically Active 1-(3,5-Bis-trifluoromethylphenyl)ethylamine (5a) [00187] 0.89 g of (S)-mandelic acid salt of optically active 1-(3,5-bis-trifluoromethylphenyl)ethylamine (5a) (5a (S)-mandelate, enantiomer ratio/S form:R form=95.5:4.5) were added to 10 ml of toluene, followed by stirring for 30 minutes at 80 C. and allowing to cool to room temperature and stand for 1 hour. The precipitated crystals were filtered, washed with a small amount of toluene and vacuum dried to obtain 0.71 g of crystals having the structure represented by the formula below and 0.18 g of mother liquor. They were converted to the free bases with 0.5 N aqueous NaOH and analyzed by chiral GC. With this, respective ee were found to be 99.7% ee (major form is the S form) and 82.7% ee (major form is the S form). [C00043] [00188] The 1H-NMR spectrum was the same as that of Example 32.
  • 17
  • [ 187085-97-8 ]
  • [ 127733-40-8 ]
  • [ 127733-47-5 ]
YieldReaction ConditionsOperation in experiment
EXAMPLE 101; (1alpha)-N-[(1alpha')-1-(3,5-Bis(trifluoromethyl)phenyl)ethyl]-1-(1-piperazinyl)indancarboxamide dihydrochloride; Step A; (1alpha')-1-[3,5-Bis(trifluoromethyl)phenyl]ethylamine; (1RS)-1-[3,5-Bis(trifluoromethyl)phenyl]ethylamine is converted into a salt using (L)-tartaric acid, the mixture of diastereoisomers thereby obtained is separated and then reconversion to the base is carried out on each of the two diastereoisomers. The expected product is the first of the enantiomers thereby obtained.
  • 18
  • [ 127733-40-8 ]
  • [ 1001088-64-7 ]
  • 19
  • [ 127733-40-8 ]
  • [ 105-34-0 ]
  • C13H10F6N2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
at 20℃;Neat (no solvent); General procedure: In step 1, a mixture of methyl cyanoacetate (25 mmol) and the amine (25 mmol) was stirred vigorously for overnight. The resulting solid was triturated with 8 mL 95% ethanol and the product filtered. The amide from the step1 reaction (5.0 mmol), aldehyde (5 mmol), and piperidine (five drops) were stirred in anhydrous ethanol (10 mL). Ethanol was evaporated and solid was triturated with water and dried under high vacuum to give the desired product.
  • 22
  • [ 1370726-04-7 ]
  • [ 127733-40-8 ]
YieldReaction ConditionsOperation in experiment
77.6 mg With hydrogen; In methanol; at 20℃; for 1.0h; The resulting 1-[3,5-bis(trifluoromethyl)phenyl]ethyl azide (crude product: 111.5 mg) was dissolved in methanol (6 mL) and the solution was added with palladium-fibroin (18 mg) for hydrogen substitution, and then the mixture was stirred at room temperature for 1 hour. The reaction mixture was filtered through Celite, the filtrate was concentrated under reduced pressure, and the resulting residue was purified by silica gel column chromatography (chloroform:methanol = 50:1 to 5:1) to obtain 77.6 mg of 1-[3,5-bis(trifluoromethyl)phenyl]ethylamine as colorless oil (yield: 91%, for 2 steps). 1H-NMR (CDCl3) delta: 1.42 (3H, d, J=6.8Hz), 1.58 (2H, br-s), 4.30 (1H, q, J=6.8Hz), 7.75 (1H, s), 7.85 (2H, s) [0118] Specific rotation of the resulting 1-[3,5-bis(trifluoromethyl)phenyl]ethylamine was as follows.[alpha]D25 -15.9 (c = 1.31, CHCl3) [0119] Specific rotation of a commercially available standard product ((S)-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine (Central Glass Co., Ltd., Lot. 0102000, optical purify: 99%ee)) was as follws.[alpha]D25 -15.9 (c = 1.15, CHCl3)
58.9 mg With hydrogen; In methanol; at 20℃; for 1.0h; Example 1-5[0052] The crude product of 1-azido-[3,5-bis(trifluoromethyl)phenyl]ethane obtained in Example 1-4 was added with palladium-fibroin (18 mg) and methanol (6 mL), and after the atmosphere was replaced with hydrogen, the mixture was stirred at room temperature. After stirring over I hour, the reaction mixture was filtered through Celite, and concentrated, and the resulting residue was purified by silica gel column chromatography (chloroform:methanol = 50:1 to 5:1) to obtain 58.9 mg of alpha-[3,5-bis(trifluoromethyl)phenyl]ethylamine as colorless oil.Yield: 74% (for two steps) (S)-alpha-[3,5-bis(trifluoromethyl)phenyl]ethylamine produced by Central Glass Co., Ltd.Lot. 0102000Optical purity, 99%ee
77.6 mg With hydrogen; In methanol; at 20℃; for 1.0h; The obtained 1-[3,5-bis(trifluoromethyl)phenyl]ethyl azide (crude product: 111.5 mg) was dissolved in methanol (6 mL), and palladium fibroin (18 mg) was then added to the obtained solution. Hydrogen substitution was carried out and the mixture was stirred at a room temperature for 1 hour. The reaction solution was filtrated with Celite, and the filtrate was then concentrated under a reduced pressure. The obtained residue was purified by silica gel column chromatography (chloroform:methanol=50:1 to 5:1), to obtain 77.6 mg of 1-[3,5-bis(trifluoromethyl)phenyl]ethylamine in the form of a colorless oily product (yield: 91%, 2 steps). 1H-NMR (CDCl3) delta: 1.42 (3H, d, J=6.8 Hz), 1.58 (2H, br-s), 4.30 (1H, q, J=6.8 Hz), 7.75 (1H, s), 7.85 (2H, s)
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(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanamine Hydrochloride

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(S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethanamine hydrochloride

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Trifluoromethyls

Chemical Structure| 127852-21-5

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(S)-1-(3-(Trifluoromethyl)phenyl)ethanamine

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(R)-1-(4-(Trifluoromethyl)phenyl)ethanamine hydrochloride

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1-(3-(Trifluoromethyl)phenyl)ethanamine hydrochloride

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(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanamine Hydrochloride

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Chemical Structure| 216002-19-6

[ 216002-19-6 ]

(S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethanamine hydrochloride

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; ;