成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 67630-01-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 67630-01-7
Chemical Structure| 67630-01-7
Structure of 67630-01-7 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 67630-01-7 ]

Related Doc. of [ 67630-01-7 ]

Alternatived Products of [ 67630-01-7 ]
Product Citations

Product Details of [ 67630-01-7 ]

CAS No. :67630-01-7 MDL No. :MFCD18207036
Formula : C16H24N2O4 Boiling Point : -
Linear Structure Formula :- InChI Key :YGUWRFUPGXSHNX-ZDUSSCGKSA-N
M.W : 308.37 Pubchem ID :10638537
Synonyms :

Calculated chemistry of [ 67630-01-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 22
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.5
Num. rotatable bonds : 9
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 84.87
TPSA : 90.65 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.93 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.05
Log Po/w (XLOGP3) : 1.76
Log Po/w (WLOGP) : 2.28
Log Po/w (MLOGP) : 1.93
Log Po/w (SILICOS-IT) : 1.9
Consensus Log Po/w : 2.18

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.47
Solubility : 1.05 mg/ml ; 0.0034 mol/l
Class : Soluble
Log S (Ali) : -3.28
Solubility : 0.161 mg/ml ; 0.000523 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.91
Solubility : 0.038 mg/ml ; 0.000123 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.09

Safety of [ 67630-01-7 ]

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 [ 67630-01-7 ]

* 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 [ 67630-01-7 ]

[ 67630-01-7 ] Synthesis Path-Downstream   1~16

  • 1
  • [ 38184-47-3 ]
  • [ 67630-01-7 ]
  • [ 85676-47-7 ]
  • 2
  • [ 67630-00-6 ]
  • [ 67630-01-7 ]
YieldReaction ConditionsOperation in experiment
89% With hydrogen;palladium 10% on activated carbon; In ethanol; under 2068.65 - 2585.81 Torr; for 1h; A solution of N-BOC-4-nitro-L-phenyl alanine ethyl ester (78.3 g, 0.22 mol) in absolute ethanol (300 mL) was purged with nitrogen, and 10% palladium on carbon (1.0 g) was added. After hydrogenated at 40-50 psi for 1 h, the reaction mixture was filtered through Celite, and the cake was washed with EtOH followed by EtOAc. The filtrate was concentrated, and the residue was purified by flash column chromatography on silica gel eluting with 4:1 to 1:1 EtOAc/Hexanes to afford the title compound (60 g 89% yield). lH NMR (400 MHz, CDCI3) delta 6.90 (d, 2H), 6.63 (d, 2H), 4.20-4.50 (m,lH), 4.14 (q, 2H), 3.76-3.00 (m, 2H), 1.36 (s, 9H).1.20 (t, 3H).
With hydrogen;palladium 10% on activated carbon; In ethanol; under 2068.65 - 2585.81 Torr; for 1h; Step C : A solution of the compound of Step B (78. 3 g, 0. 22 mol) in absolute ethanol (300 mL) was purged with nitrogen, and 10% palladium on carbon (1. 0 g) was added. After hydrogenated at 40-50 psi for 1 h, the reaction mixture was filtered through Celite, and the cake was washed with EtOH followed by EtOAc. The filtrate was concentrated, and the residue was purified by flash column chromatography on silica gel eluting with 4 : 1 to 1 : 1 EtOAc/Hexanes to afford N-BOC-4-amino-L-phenylalanine, ethyl ester (60 g). 1H NMR (400 MHz, Cd13) 8 6. 90 (d, 2H), 6. 63 (d, 2H), 4. 20-4. 50 (m, lH), 4. 14 (q, 2H), 3. 76-3. 00 (m, 2H), 1. 36 (s, 9H), 1. 20 (t, 3H).
palladium-carbon; In ethanol; (9-1) In 120 ml of ethanol was dissolved 4.95 g (14.6 mmol) of N-t-butoxycarbonyl-DL-4-nitrophenylalanine ethyl ester, and 500 mg of 10% palladium carbon was added to the solution and the mixture was stirred under hydrogen atmosphere at 50-60 C. for 6 hours. The resulting reaction mixture was filtered and the filtrate was concentrated under reduced pressure. The residue was purified by the silica gel column chromatography ethod (eluent: chloroform/ethyl acetate=50/1) to obtain 3.97 g (12.8 mmol) of N-t-butoxycarbonyl-DL-4-aminophenylalanine ethyl ester as white solid. 1H-NMR (CDCl3) delta; 6.92 (d, J=8 Hz, 2H), 6.63 (d, J=8 Hz, 2H), 5.03-4.85 (m, 1H), 4.56-4.38 (m, 1H), 4.16 (q, J=7.3 Hz, 2H), 3.15-2.82 (m, 2H), 1.42 (s, 9H), 1.25 (t, J=7.3 Hz, 3H). CI-MS (m/z); 253
With hydrogen;10% palladium on activated carbon; In ethanol; The mixture of 4.6 g of Boc-Phe(4-NO2)-Oet, 900 mg of 10% palladium charcoal (containing 50% water) and ethanol was stirred overnight under the hydrogen atmosphere. After Celite filtration, the solvent was removed to obtain the objective compound. Yield: 4.4 g H-NMR (CDCl3) delta 1. 25 (3H, t), 1. 40 (9H, s), 2. 95 (2H, br), 4. 15 (2H, q), 4.45 (1H, m), 4.95 (1H, br), 6.60 (2H, d), 6.95 (2H, d).
With hydrogen;palladium on carbon; In N,N-dimethyl-formamide; for 8h;Product distribution / selectivity; 3) Hydrogen conversion reaction of Boc-3-(4-nitro-phenyl)-2-tert-butoxycarbonylamino-propionic acid ethyl ester (Boc-ntrPhe-OEt) 1 g of Boc-ntrPhe-OEt, 30 ml of DMF and 0.05 g of palladium-carbon (Pd-C) were mixed, gas-filling by hydrogen was conducted using a balloon, and the solution was stirred for approximately 8 hours. During the stirring, hydrogen was changed every 2 hours. The product was analyzed by 1H-NMR spectroscopy.
With palladium 10% on activated carbon; hydrogen; In methanol; The intermediate (17) was dissolved in methanol, 10% Pd / C was added, and the hydrogen was pressurized. Filtered, concentrated under reduced pressure to the give intermediate (18).
With palladium 10% on activated carbon; hydrogen; In N,N-dimethyl-formamide; at 50℃;Inert atmosphere; Large scale; N-tert-butoxycarbonyl-L-4-nitrophenylalanine ethyl ester (3.385 kg, 10.0 mol) was added to a 100 L enamel kettle containing N,N-dimethylformamide (26 L).Stir and dissolve until clear, add 10% Pd on carbon (170g), replace with nitrogen three times, replace with hydrogen three times, heat up to 50C and continue to pass hydrogen,After sampling and detecting the reaction of N-tert-butoxycarbonyl-L-4-nitrophenylalanine ethyl ester, the hydrogen gas was stopped and the reaction was allowed to come to room temperature, filtered, and the mother liquor was directly used in the next step.

  • 3
  • [ 75-21-8 ]
  • [ 67630-01-7 ]
  • [ 189744-27-2 ]
  • 4
  • [ 67630-01-7 ]
  • [ 229328-97-6 ]
  • [ 263276-03-5 ]
YieldReaction ConditionsOperation in experiment
A solution of (S)-ethyl-3-(4-aminophenyl)-2-(t-butoxycarbonylamino)propionate (130.8 g, 0.425 mol) in DCM (800 ml) was cooled to 0 and treated with NMM (56.0 ml, 0.51 mol), stirred 5 minutes and then a solution of the acid chloride (98.3 g, 0.468 mol) in DCM (200 ml) was added dropwise keeping the reaction temperature below 5.. The reaction was stirred for 1 h, quenched with NaHCO3 solution (500 ml), the organic layer separated, washed with NaHCO3 solution (500 ml), 10% citric acid solution (500 ml) and NaHCO3 solution (500 ml), dried (MgSO4) and concentrated in vacuo to give a yellow solid which was recrystallized (EtOAc/Hexane) to give the title compound (140 g, 69%): deltaH (DMSO d6) 8.80 (2H, s), 7.55 (2H, d, J 8.5 Hz), 7.23 (2H, d, J 8.5 Hz), 4.00 (3H, m), 3.40 (2H, br. s), 2.90 (1H, m), 2.80 (1H, m), 1.30 (9H, s), 1.25 (3H, t); m/z (EI+, 70V) 504.
A slurry of the compound of Intermediate 1 (51.2g, 0. 267mol) in DCM [(195MUT)] and thionyl chloride [(195MOI,] 2. [67MOL)] was treated with DMF (5 drops) and heated to reflux for 4h. The reaction was concentrated in vacuo and azeotroped with toluene [(2X50M1)] to give a yellow solid which was used without further purification. A solution of [ETHYL- (S)-3- (4-] aminophenyl)-2- (t-butoxycarbonylamino) propanoate (130.8g, 0. [425MOL)] in [DCM (800ML) WAS COOLED TO 0XB0; AND TREATED WITH NMM 0.51MOL),] stirred for 5 minutes and then a solution of the acid chloride (98.3g, 0. [468MOL)] in DCM [(200ML)] was added dropwise keeping the reaction temperature [BELOW 5XB0;.] The reaction was stirred for 1h, quenched with NaHCO3 solution [(500ML),] the organic layer separated, washed with NaHCO3 [SOLUTION (500ML),] 10% citric acid solution [(500MOI)] and [NAHCO3] [SOLUTION (500M1),] dried [(MGS04)] and concentrated in vacuo to give a yellow solid which was [RECRYSTALLISED] (EtOAc/hexane) to give the title compound, (140g, [69%).] [8H] (DMSO d6), 8.8 (2H, s), 7.55 (2H, d, J 8.5Hz), 7.23 (2H, d, J 8.5Hz), 4.0 (3H, m), 3.4 (2H, b s), 2.9 (1H, m), 2.8 [(1 H,] m), 1.3 (9H, s), 1.25 (3H, t); m/z (ES+, 70V) 504 (MNa+).
With 4-methyl-morpholine; In dichloromethane; at 0℃; for 1.08333h; To a nitrogen flushed 500 mL round bottom flask was charged with 3,5-dichloro- isonicotinic acid (46.5 g, 0.24 mol), CH2CI2 (150 mL), DMF (0.5 mL), and thionyl chloride (20 mL,33.9 g 0.28 mol). After the slurry was refluxed for 5 h, additional thionyl chloride (5 mL, 0.70 mol) and CH2CI2 (100 mL) were added, and the reaction was refluxed for additional 45 min. The reaction mixture was concentrated, and the residue was azeotroped with toluene to give the crude acyl chloride, which was used immediately. Thus, the crude acyl chloride was dissolved in CH2CI2 (150 mL) and was added to N-BOC-4-amino-L-phenylalanine ethyl ester (60 g, 0.20 mol) and 4-methylmorpholine (44 mL, EPO <DP n="20"/>0.40 mol) in CH2CI2 (400 mL) at O0C over 5 min. After stirring at 00C for 1 h, the reaction was quenched with dilute aqueous NaHCtheta3. The organic layer was separated and the aqueous layer was extracted with CH2CI2 (500 mL). The organic layers were combined, dried over anhydrous MgSO4 and concentrated in vacuo, and the residue was purified by flash column chromatography on silica gel eluting with 4:1 to 3:2 EtOAc/hexanes to afford the title compound (95 g, 100% yield). lH NMR (400 MHz, CD3OD) delta 8.60 (s, 2H), 7.54 (d, 2H), 7.20 (d, 2H), 4.20-4.36 (m, IH), 4.10 (q, 2H), 3.02-3.12 (m, IH)5 ),2.82-2.92 (in, IH), 1.34/1.30 (s, 9H).1.20 (t, 3H).
  • 6
  • [ 58816-66-3 ]
  • [ 67630-01-7 ]
  • 8
  • [ 67630-01-7 ]
  • 4-(bis(2-chloroethyl)amino)-L-phenylalanine ethyl ester trifluoroacetate [ No CAS ]
  • 10
  • [ 4792-30-7 ]
  • [ 67630-01-7 ]
  • ethyl (2S)-2-(tert-butoxycarbonylamino)-3-[4-(4-methyl-1,3-dioxo-1,3-dihydro-isoindol-2-yl)phenyl]propionate [ No CAS ]
YieldReaction ConditionsOperation in experiment
In benzene;Heating / reflux; The mixture of 2.75 g of Boc-Phe(4-NH2)-Oet, 1.67 g of 3-methyl phthalic anhydride and 40 ml of benzene was heated to reflux. After adding ethyl acetate, the mixture was washed with 1N hydrochloric acid, an aqueous solution of 1N sodium hydroxide and a saturated aqueous solution of sodium chloride and dried over magnesium sulfate to remove the solvent. Dioxane containing 4N hydrogen chloride was added to ethyl (2S)-2-(t-butoxyamino)-3-[4-(4-methyl-1,3-dioxo-1,3-dihydro-isoindol-2-yl) phenyl] propionate obtained by washing the residue with hexane, and stirred for two hours. The solvent was removed and the residue was washed with ethyl acetate to obtain the objective compound. Yield: 1.9 g H-NMR (DMSO-d6) delta 1. 15 (3H, m), 2. 65 (3H, s), 3.10-3.40 (2H, m), 4. 15 (2H, m), 4. 30 (1H, t), 7. 40 (4H, s), 7. 65-7. 80 (3H, m), 8. 70 (3H, br).
  • 11
  • [ 69042-30-4 ]
  • [ 67630-01-7 ]
  • [ 369648-61-3 ]
  • [ 369648-62-4 ]
YieldReaction ConditionsOperation in experiment
In 2-ethoxy-ethanol; at 100 - 120℃; for 1.25h; A solution of ethyl- (S)-3- [4-aminophenyl]-2- [t-butoxycarbonylamino] propanoate (638mg, 2. [07MMOL)] and Intermediate 3 (310mg, 1. [88MMOL)] in ethoxyethanol [(2ML)] was stirred at [120-FOR] 15 min and at [1002 FOR LH] under nitrogen. The volatiles were removed in vacuo and the dark residue partitioned between EtOAc (70ml) and saturated aqueous [NAHC03] [(10MUT).] The phases were separated and the aqueous layer re-extracted with EtOAc (2x30ml). The combined organic extracts were washed with brine [(10ML),] dried [(NA2SO4)] and evaporated in vacuo to afford a dark foam. Chromatography [(SI02] ; 5 to 10% MeOH/DCM) afforded a mixture of [ETHYL- (S)-3- [4- ( [2,] 7] [NAPHTHYRIDIN-1-YLAMINO) PHENYL]-2- [ (T-BUTOXYCARBONYL)] amino] propanoate and some of the title compound (730mg). This mixture was treated with a solution of trifluoroacetic acid [(5ML)] and DCM (5ml) at room temperature for 1h. The volatiles were removed in vacuo and the residue partitioned between EtOAc [(75MOI)] and saturated aqueous [NAHCO3] (20ml). The phases were separated and the aqueous layer re- extracted with EtOAc (3x30ml). The combined organic extracts were washed with brine (10ml), dried [(NA2SO4)] and evaporated in vacuo to afford an orange solid. Chromatography [(SI02] ; 10% MeOH/DCM) afforded the title compound as a straw-coloured solid (420mg, 60% over two steps). 8H [(CDC13)] 10.70 [(1 H,] s), 10.31 [(1 H,] s), 9.44 [(1 H,] d, J 5.6Hz), 8.94 (1H, d, J 5.6Hz), 8.55 [(1H,] d, J 7.3Hz), 8.54 (2H, d, J 8.5Hz), 8.46 [(1 H,] d, J 5.6Hz), 7.94 (2H, d, J 8.5Hz), 4.84 (2H, q, [J] 7. [1 HZ),] 4.35 [(1 H,] t, J 6.6Hz), 4.10 (2H, br s), 3.64 (1H, dd, J 13.5, 6.4Hz), 3.56 [(1H,] dd, J 13.5, 7. [0HZ)] and 1.95 (3H, t, J 7. [1 HZ)] ; m/z (ES+, 70V) 337 (MH+).
  • 12
  • [ 67630-01-7 ]
  • [ 263276-03-5 ]
YieldReaction ConditionsOperation in experiment
Step D : A nitrogen flushed 500 mL round bottom flask was charged with 3, 5-dichloroisonicotinic acid (46. 5 g, 0. 24 mol), CH2C12 (150 mL), DMF (0. 5 mL), and thionyl chloride (20 mL, 33. 9 g 0. 28 mol). After the slurry was refluxed for 5 h, additional thionyl chloride (5 mL, 0. 70 mol) and CH2Cl2 (100 mL) were added, and the reaction mixture was refluxed for additional 45 min and concentrated, and the residue was azeotrope with toluene to give the crude acyl chloride, which was used immediately. The crude acyl chloride was dissolved in CH2C12 (150 mL) and added to the compound of Step C (60 g, 0. 20 mol) and 4-methylmorpholine (44 mL, 0. 40 mol) in CH2C12 (400 mL) at 0C over 5 min. After stirring at 0C for 1 h, the reaction was quenched with dilute aqueous NaHC03. The organic layer was separated and the aqueous layer was extracted with CH2C12 (500 mL). The organic layers were combined, dried over anhydrous MgSO4 and concentrated in vacuo, and the residue was purified by flash column chromatography on silica gel eluting with 4 : 1 to 3 : 2 EtOAc/hexanes to afford N-BOC-4- ( (3', 5'-dichloro- isonicotinoyl) amino)-L-phenylalanine, ethyl ester (95 g). 1H NMR (400 MHz, CD30D) o 8. 60 (s, 2H), 7. 54 (d, 2H), 7. 20 (d, 2H), 4. 20-4. 36 (m, 1H), 4. 10 (q, 2H), 3. 02-3. 12 (m, 1H), 2. 82-2. 92 (m, 1H), 1. 34/1. 30 (s, 9H), 1. 20 (t, 3H).
  • 13
  • [ 67630-01-7 ]
  • [ 1939-99-7 ]
  • N-t-butoxycarbonyl-DL-4-(benzylsulfonylamino)phenylalanine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Example II-13 N-t-butoxycarbonyl-DL-4-(benzylsulfonylamino)phenylalanine In the same manner as in Example II-(11-2) and Example II-(11-3) except for using N-t-butoxycarbonyl-DL-4-aminophenylalanine ethyl ester in place of N-t-butoxycarbonyl-L-4-aminophenylalanine ethyl ester and using benzylsulfonyl chloride in place of benzenesulfonyl chloride, the reactions were carried out to obtain the title compound (overall yeield 92%) as palye yellowish foay product. 1H-NMR (CDCl3) delta; 7.33-7.25 (m, 5H), 7.12-6.99 (m, 4H), 6.90 (s, 1H), 5.06-4.88 (m, 1H), 4.63-4.57 (m, 1H), 4.32 (s, 2H), 3.18-3.02 (m, 2H), 1.43 (s, 9H). CI-MS (m/z); 291
  • 14
  • [ 124-63-0 ]
  • [ 67630-01-7 ]
  • [ 204856-74-6 ]
YieldReaction ConditionsOperation in experiment
Example II-12 N-t-butoxycarbonyl-DL-4-(methylsulfonylamino)phenylalanine In the same manner as in Example II-(11-2) and Example II-(11-3) except for using N-t-butoxycarbonyl-DL-4-aminophenylalanine ethyl ester in place of N-t-butoxycarbonyl-L-4-aminophenylalanine ethyl ester and using methanesulfonyl chloride in place of benzenesulfonyl chloride, the reactions were carried out to obtain the title compound (overall yeield 84%) as white solid. 1H-NMR (CDCl3+DMSO-d6) delta; 9.13 (brs, 1H), 7.21 (d, J=8.5 Hz, 2H), 7.13 (d, J=8.5 Hz, 2H), 5.18-4.48 (m, 1H), 3.30-3.08 (m, 2H), 2.92 (s, 3H), 1.42 (s, 9H). CI-MS (m/z); 259
  • 15
  • [ 349-88-2 ]
  • [ 67630-01-7 ]
  • N-t-butoxycarbonyl-DL-4-[(4-fluorophenyl)sulfonylamino]phenylalanine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Example II-14 N-t-butoxycarbonyl-DL-4-[(4-fluorophenyl)sulfonylamino]-phenylalanine In the same manner as in Example II-(11-2) and Example II-(11-3) except for using N-t-butoxycarbonyl-DL-4-aminophenylalanine ethyl ester in place of N-t-butoxycarbonyl-L-4-aminophenylalanine ethyl ester and using 4-fluorobenzenesulfonyl chloride in place of benzenesulfonyl chloride, the reactions were carried out to obtain the title compound (overall yeield-quantitative) as white solid. 1H-NMR (CDCl3) delta; 7.78-7.71 (m, 2H), 7.21 (s, 1H), 7.13-6.91 (m, 6H), 5.03-4.88 (m, 1H), 4.67-4.49 (m, 1H), 3.19-2.89 (m, 2H), 1.42 (s, 9H). CI-MS (m/z); 383
  • 16
  • [ 67630-01-7 ]
  • [ 220388-32-9 ]
YieldReaction ConditionsOperation in experiment
With triethylamine; Example II-15 N-t-butoxycarbonyl-DL-4-(phenylsulfonylamino)phenylalanine In the same manner as in Example II-(11-2) and Example II-(11-3) except for using N-t-butoxycarbonyl-DL-4-aminophenylalanine ethyl ester in place of N-t-butoxycarbonyl-L-4-aminophenylalanine ethyl ester and using triethylamine in place of pyridine, the reactions were carried out to obtain the title compound (overall yeield 57%) as white foamy product. 1H-NMR (400 MHz, CDCl3) delta; 7.74 (d, J=7.3 Hz, 2H), 7.53 (d, J=7.3 Hz, 1H), 7.43 (t, J=7.3 Hz, 2H), 7.04 (d, J=7.3 Hz, 2H), 6.93 (d, J=7.3 Hz, 2H), 6.91 (brs, 1H), 4.97-4.88 (m, 1H), 4.60-4.52 (m, 1H), 3.14-3.00 (m, 2H), 1.40 (s, 9H). CI-MS (m/z); 365
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;