1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-Methyl-, phenylMethyl ester, (5R)-

Base Information

• Chemical Name: 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-Methyl-, phenylMethyl ester, (5R)-
• CAS No.: 1001401-60-0
• Molecular Formula: C14H20N2O2
• Molecular Weight: 248.325
• Hs Code.: 2933998090
• Mol file: 1001401-60-0.mol

Synonyms:1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-Methyl-, phenylMethyl ester, (5R)-;Suvorexant InterMediate;(5R)-1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-Methyl-,phenylMethyl ester;(R)-Benzyl 5-methyl-1,4-diazepane-1-carboxylate/Suvorexant intermediate;New Intermediates;(5R)-Hexahydro-5-methyl-1H-1,4-diazepine-1-carboxylic acid phenylmethyl ester

Chemical Property of 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-Methyl-, phenylMethyl ester, (5R)-

Chemical Property:

• PSA: 41.57000
• LogP: 2.27370
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

98%,99%, ^*data from raw suppliers

Benzyl(5R)-5-methyl-1,4-diazepane-1-carboxylate 97.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-Methyl-, phenylMethyl ester, (5R)-

There total 11 articles about 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-Methyl-, phenylMethyl 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: 100.0%

benzyl (R)-5-methyl-1,4-diazepane-1-carboxylate D-di-benzoyl tartaric acid → benzyl (R)-5-methyl-1,4-diazepane-1-carboxylate (1001401-60-0)

Guidance literature:

With sodium hydroxide; In dichloromethane; water;

Reference yield: 100.0%

C14H20N2O2*C18H18O6 → benzyl (R)-5-methyl-1,4-diazepane-1-carboxylate (1001401-60-0)

Guidance literature:

With sodium hydroxide; In dichloromethane; water; pH=12;

Reference yield: 84.0%

(R)-benzyl 5-methyl-1,4-diazepane-1-carboxylate hydrochloride (R)-(+)-1,1,2-triphenyl-1,2-ethanediol → benzyl (R)-5-methyl-1,4-diazepane-1-carboxylate (1001401-60-0)

Guidance literature:

In water; at 0 - 4 ℃; for 1h;

upstream raw materials:

benzyl 5-methyl-1,4-diazepane-1-carboxylate

benzyl (2-((tert-butoxycarbonyl)amino)ethyl)(3-oxobutanoyl)carbamate

Refernces

• 1、 -. "NOVEL ROUTES OF SYNTHESIS FOR THE PREPARATION OF SUVOREXANT". . . Retrieved 2016/04/26.