1H-1-Benzazepine-1-carboxylic acid, 2,3,4,5-tetrahydro-5-hydroxy-7-Methyl-8-(trifluoroMethyl)-, 1,1-diMethylethyl ester, (5R)-

Base Information

• Chemical Name: 1H-1-Benzazepine-1-carboxylic acid, 2,3,4,5-tetrahydro-5-hydroxy-7-Methyl-8-(trifluoroMethyl)-, 1,1-diMethylethyl ester, (5R)-
• CAS No.: 872624-60-7
• Molecular Formula: C₁₇H₂₂F₃NO₃
• Molecular Weight: 345.362
• Hs Code.: 2933990090
• Mol file: 872624-60-7.mol

Synonyms:

Chemical Property of 1H-1-Benzazepine-1-carboxylic acid, 2,3,4,5-tetrahydro-5-hydroxy-7-Methyl-8-(trifluoroMethyl)-, 1,1-diMethylethyl ester, (5R)-

Chemical Property:

• PSA: 49.77000
• LogP: 4.64750
• Storage Temp.: 2-8°C

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

(R)-tert-Butyl5-hydroxy-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-1-Benzazepine-1-carboxylic acid, 2,3,4,5-tetrahydro-5-hydroxy-7-Methyl-8-(trifluoroMethyl)-, 1,1-diMethylethyl ester, (5R)-

There total 1 articles about 1H-1-Benzazepine-1-carboxylic acid, 2,3,4,5-tetrahydro-5-hydroxy-7-Methyl-8-(trifluoroMethyl)-, 1,1-diMethylethyl ester, (5R)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 76.0%

tert-butyl 7-methyl-5-oxo-8-trifluoromethyl-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate (872624-59-4) → (R)-tert-butyl 5-hydroxy-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydrobenzo[6]azepine-1-carboxylate (872624-60-7)

Guidance literature:

tert-butyl 7-methyl-5-oxo-8-trifluoromethyl-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate; With dimethylsulfide borane complex; (S)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole; In tetrahydrofuran; dichloromethane; toluene; at -30 - 0 ℃;

With methanol; In tetrahydrofuran; dichloromethane; toluene; at -20 - 20 ℃; for 1h;

Reference yield: 85.0%

(R)-tert-butyl 5-hydroxy-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydrobenzo[6]azepine-1-carboxylate (872624-60-7) → (S)-tert-butyl 5-azido-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate (872624-61-8)

Guidance literature:

With diphenyl phosphoryl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In toluene; at 65 ℃; for 12h;

upstream raw materials:

tert-butyl 7-methyl-5-oxo-8-trifluoromethyl-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate

Downstream raw materials:

(S)-tert-butyl 5-azido-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate