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. 107867-51-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 107867-51-6
Chemical Structure| 107867-51-6
Structure of 107867-51-6 * 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 [ 107867-51-6 ]

Related Doc. of [ 107867-51-6 ]

Alternatived Products of [ 107867-51-6 ]
Product Citations

Product Details of [ 107867-51-6 ]

CAS No. :107867-51-6 MDL No. :MFCD10696252
Formula : C6H6F3N3 Boiling Point : No data available
Linear Structure Formula :- InChI Key :RNSZENVDZWTPPG-UHFFFAOYSA-N
M.W : 177.13 Pubchem ID :10214425
Synonyms :

Calculated chemistry of [ 107867-51-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.17
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 38.05
TPSA : 64.93 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.88 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.79
Log Po/w (XLOGP3) : 0.71
Log Po/w (WLOGP) : 2.43
Log Po/w (MLOGP) : 0.72
Log Po/w (SILICOS-IT) : 0.97
Consensus Log Po/w : 1.12

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.69
Solubility : 3.62 mg/ml ; 0.0204 mol/l
Class : Very soluble
Log S (Ali) : -1.65
Solubility : 3.95 mg/ml ; 0.0223 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.19
Solubility : 1.14 mg/ml ; 0.00644 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.89

Safety of [ 107867-51-6 ]

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

Application In Synthesis of [ 107867-51-6 ]

* 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 [ 107867-51-6 ]

[ 107867-51-6 ] Synthesis Path-Downstream   1~15

  • 1
  • [ 530-62-1 ]
  • [ 107867-51-6 ]
  • [ 438190-87-5 ]
YieldReaction ConditionsOperation in experiment
In dichloromethane; B. 6-Trifluoromethyl-1,3-dihydro-imidazo[4,5-b]pyridin-2-one Add 1,1'-carbonyldiimidazole (1.0 g, 6.17 mmol)to a solution of <strong>[107867-51-6]5-trifluoromethyl-pyridine-2,3 diamine</strong> (0.90 g, 5.08 mmol) in CH2Cl2 (10 mL) and stir at room temperature for 18 hours. Heat the solution to reflux for 2 hours and filter the precipitate to obtain 6-trifluoromethyl-1,3-dihydro-imidazo[4,5-b]pyridin-2-one.
  • 2
  • [ 74784-70-6 ]
  • [ 107867-51-6 ]
  • 3
  • [ 107867-51-6 ]
  • 2-chloro-6-trifluoromethyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridine; hydrochloride [ No CAS ]
  • 4
  • [ 107867-51-6 ]
  • 6-trifluoromethyl-2-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridine [ No CAS ]
  • 6
  • [ 107867-51-6 ]
  • [ 683242-11-7 ]
YieldReaction ConditionsOperation in experiment
With 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 20℃; for 16h; [(C)] [6-TRIFLUOROMETHYL-1,] 3-diliydro-imidazo [4,5-b] pyridin-2-one, trifluoroacetic acid salt. A mixture of 5-trifluoromethyl-pyridine-2, 3-diamine from step (b) above and N, [N-CARBONYLDIIMIDAZOLE] (938 mg, 579 mmol, Aldrich) in THF (10 mL) was stirred at room temperature for 16 h. The reaction mixture was diluted with [HA0] (20 mL) and extracted with EtOAc (2 x 30 mL). The combined organic extracts were concentrated in vacuo and the residue was purified by preparative HPLC (gradient 0. [1 percent] trifluoroacetic acid in acetonitrile) to give the title compound. MS (ESI positive ion) m/z: 204 (M+1).
  • 7
  • C18H16N6S2 [ No CAS ]
  • [ 107867-51-6 ]
  • C21H16F3N7S [ No CAS ]
YieldReaction ConditionsOperation in experiment
Step 2: A mixture of compound 1.2 (0.2 mmol) and thiocarbonyldiimidazole (0.2 mmol) in dry THF (2.0 mL) was stirred at room temperature for 30 minutes under an atmosphere of N2. 5-Trifluoromethyl-pyridine-2,3-diamine (0.2 mmol) was added and the reaction stirred at room temperature until the reaction was deemed complete. The reaction mixture was then treated with N,N'-dicyclohexylcarbodiimide (0.2 mmol) and the resulting mixture was stirred at 40-60° C. for several hours. The solvent was removed and the residue was purified by preparative HPLC to give the titled compound. 1H NMR (CD3OD, 400 MHz): delta 8.76 (s, 1H), 8.51 (s, 1H), 8.38 (s, 1H), 7.95 (s, 1H), 7.56 (d, J=7.3 Hz, 2H), 7.48 (s, 1H), 7.38 (d, J=6.4 Hz, 2H), 4.03 (s, 2H), 3.09 (s, 2H) ppm; EIMS (m/z): 456.1 (M++H).
  • 8
  • [ 438191-02-7 ]
  • [ 53359-69-6 ]
  • [ 107867-51-6 ]
YieldReaction ConditionsOperation in experiment
palladium-carbon; In ethanol; A. 5-Trifluoromethyl-pyridine-2,3 diamine Add 10percent Pd/C (0.5 g) to a solution of 3 nitro-5-(trifluoromethyl) pyridin-2-amine (1.0 g, 4.83 mmol) in ethanol (10 mL). Hydrogenate the mixture at a pressure of 50 psi for 5 hours. Filter the mixture through celite, evaporate to dryness under reduced pressure to obtain 5-trifluoromethyl-pyridine-2,3 diamine.
YieldReaction ConditionsOperation in experiment
Representative compounds of the present invention are:...6-dimethylamino-2,3-diaminopyridine;diethyl 2-(2,3-diamino-6-pyridyl)malonate;6(4-methyl-1-pyperazinyl)-2,3-pyridinediamine;6-(methylthio)-5-(trifluoromethyl)-2,3-pyridinediamine;5-(trifluoromethyl)-2,3-pyridinediamine;6-(2,2,2-trifluorethoxy)-5-(trifluoromethyl)-2,3-pyridinediamine;6-chloro-5-(trifluoromethyl)-2,3-pyridinediamine;5-bromo-4,6-dimethyl-2,3-pyridinediamine;...
  • 10
  • [ 117550-54-6 ]
  • [ 107867-51-6 ]
  • [ 122771-62-4 ]
  • 2-Amino-3-(2-methyl-6-methoxycarbonylaminobenzylamino)-5-trifluoromethylpyridine [ No CAS ]
YieldReaction ConditionsOperation in experiment
PREPARATION 17 2-Amino-3-(2-methyl-6-methoxycarbonylaminobenzylamino)-5-trifluoromethylpyridine was obtained by reacting <strong>[107867-51-6]2,3-diamino-5-trifluoromethylpyridine</strong> with 2-methyl-6-methoxycarbonylaminobenzyl chloride according to a similar manner to that of Preparation 16. mp: 157° to 159° C. IR (Nujol): 3420, 3350, 3200, 1730, 1660, 1600, 1580, 1520 cm-1. NMR (DMSO-d6, delta): 2.33 (3H, s), 3.58 (3H, s), 4.13 (2H, d, J=5Hz), 4.93 (1H, t, J=5Hz), 6.28 (2H, broad s), 6.78 (1H, broad s), 6.92-7.42 (3H, m), 7.60 (1H, broad s), 8.80 (1H, s).
  • 11
  • [ 51076-95-0 ]
  • [ 107867-51-6 ]
  • [ 1201597-38-7 ]
YieldReaction ConditionsOperation in experiment
In dichloromethane; at 100℃; for 0.333333h;Microwave irradiation; Step C: 2-(chloromethyl)-6-(trifluoromethyl)-3H-imidazo[4,5-]pyridine To a DCM 2mL suspension of 5~(trifluoromethyl)rhoyridine-2,3 -diamine (454mg, 2.56mmol) was added 2~Chloro-l,l ,l-triethoxy-ethane (504mg, 2.56mmol). The mixture was heated to 1000C for 20 mill using a microwave reactor and resulting solid was suspended in 1 :1 DCM:hexanes (5mL) and gently sonicated. The precipitate was collected by suction filtration to give the title compound (324mg). LC/MS: m/z 236(M+H). 1H-NMR (500MHz, d6-DMSO): delta 4.98 (s, 2H), 8.42(d, 1H), 8.72 (d, 1H).
  • 12
  • [ 1438249-45-6 ]
  • [ 107867-51-6 ]
  • [ 1438250-26-0 ]
YieldReaction ConditionsOperation in experiment
With Oxone; magnesium bromide ethyl etherate; In dimethyl sulfoxide; at 50℃; Methyl 4-(5-(3-fluoro-4-formylphenyl)pyrimidin-2-yloxy)bicyclo[2.2.2]octane- 1-carboxylate (Intermediate 2, 30 mg, 0.078 mmol, 1 equiv), 5-(trifluorornethyl)pyridine- 2,3-diamine (15.2 mg, 0.086 mmol, 1.1 equiv) and magnesium(II) bromide diethyl etherate (20 mg, 0.078 mmol, 1 equiv) were weighed to a vial then suspended in DMSO (260 muL) stirred at 50 °C for 2.5 hours then Oxone (48 mg, 0.078 mmol, 1 equiv) was added and the mixture stirred at 50 °C overnight. The reaction mixture was diluted with DMSO, filtered, and purified by preparative reverse phase HPLC on a 30 x 100 mm SunFire C I 8 column with a gradient of 20percent to 70percent acetonitrile in water containing 0.05percent TFA. This gave the TFA salt of the title compound as a white solid: LCMS calc'd [MH]+ m/z 542; found m/z 542
  • 13
  • methyl 2-(cis-3-[5-(3-fluoro-4-formylphenyl)pyrimidin-2-yl]oxy}cyclobutyl)acetate [ No CAS ]
  • [ 107867-51-6 ]
  • methyl 2-(cis-3-(5-(3-fluoro-4-(6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-yl)phenyl)pyrimidin-2-yloxy)cyclobutyl)acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
143 mg In dimethyl sulfoxide; at 70℃; for 2h; A solution of Intermediate 18 (150 mg, 0.436 mmol) in DMSO (8.0 ml) was treated with 5-(trifluoromethyI)pyridine-2,3-diamine (85 mg, 0.479 mmol) and the mixture stirred at 70°C for 2 h. After cooling to room temperature the reaction was quenched with water to afford a precepitate. The precepitate was filtered off and washed with water. The filtered solid was dissolved in EtOAc and washed with NaHC03, brine, and dried (MgS04) and concentrated. Trituration of the solid from ether / hexane followed by filtration afforded 143 mg of Methyl 2-(Cis-3-(5-(3-fluoro-4-(6-(trifluoromethyl)-3H-imidazo[4,5-)]pyridin-2-yl)phenyl)pyrimidin-2-yloxy)cyclobutyl)acetate as a tan solid. LC-MS (M+l)
  • 14
  • [ 107867-51-6 ]
  • tert-butyl (1-(2-chloro-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl)(methyl)carbamate [ No CAS ]
  • 15
  • [ 107867-51-6 ]
  • tert-butyl (1-(2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl)(methyl)carbamate [ No CAS ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 107867-51-6 ]

Fluorinated Building Blocks

Chemical Structure| 74784-70-6

[ 74784-70-6 ]

5-(Trifluoromethyl)pyridin-2-amine

Similarity: 0.85

Chemical Structure| 114087-45-5

[ 114087-45-5 ]

6-Chloro-5-(trifluoromethyl)pyridine-2,3-diamine

Similarity: 0.83

Chemical Structure| 112110-07-3

[ 112110-07-3 ]

5-(Trifluoromethyl)pyridin-3-amine

Similarity: 0.82

Chemical Structure| 106447-97-6

[ 106447-97-6 ]

2-Amino-4-(trifluoromethyl)pyridine

Similarity: 0.80

Chemical Structure| 175204-80-5

[ 175204-80-5 ]

3-Amino-4-(trifluoromethyl)pyridine

Similarity: 0.79

Amines

Chemical Structure| 74784-70-6

[ 74784-70-6 ]

5-(Trifluoromethyl)pyridin-2-amine

Similarity: 0.85

Chemical Structure| 114087-45-5

[ 114087-45-5 ]

6-Chloro-5-(trifluoromethyl)pyridine-2,3-diamine

Similarity: 0.83

Chemical Structure| 112110-07-3

[ 112110-07-3 ]

5-(Trifluoromethyl)pyridin-3-amine

Similarity: 0.82

Chemical Structure| 106447-97-6

[ 106447-97-6 ]

2-Amino-4-(trifluoromethyl)pyridine

Similarity: 0.80

Chemical Structure| 175204-80-5

[ 175204-80-5 ]

3-Amino-4-(trifluoromethyl)pyridine

Similarity: 0.79

Trifluoromethyls

Chemical Structure| 74784-70-6

[ 74784-70-6 ]

5-(Trifluoromethyl)pyridin-2-amine

Similarity: 0.85

Chemical Structure| 114087-45-5

[ 114087-45-5 ]

6-Chloro-5-(trifluoromethyl)pyridine-2,3-diamine

Similarity: 0.83

Chemical Structure| 112110-07-3

[ 112110-07-3 ]

5-(Trifluoromethyl)pyridin-3-amine

Similarity: 0.82

Chemical Structure| 106447-97-6

[ 106447-97-6 ]

2-Amino-4-(trifluoromethyl)pyridine

Similarity: 0.80

Chemical Structure| 175204-80-5

[ 175204-80-5 ]

3-Amino-4-(trifluoromethyl)pyridine

Similarity: 0.79

Related Parent Nucleus of
[ 107867-51-6 ]

Pyridines

Chemical Structure| 74784-70-6

[ 74784-70-6 ]

5-(Trifluoromethyl)pyridin-2-amine

Similarity: 0.85

Chemical Structure| 114087-45-5

[ 114087-45-5 ]

6-Chloro-5-(trifluoromethyl)pyridine-2,3-diamine

Similarity: 0.83

Chemical Structure| 112110-07-3

[ 112110-07-3 ]

5-(Trifluoromethyl)pyridin-3-amine

Similarity: 0.82

Chemical Structure| 106447-97-6

[ 106447-97-6 ]

2-Amino-4-(trifluoromethyl)pyridine

Similarity: 0.80

Chemical Structure| 175204-80-5

[ 175204-80-5 ]

3-Amino-4-(trifluoromethyl)pyridine

Similarity: 0.79

; ;