Hexahydro-6-hydroxy-1H-1,4-diazepine-1-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: Hexahydro-6-hydroxy-1H-1,4-diazepine-1-carboxylic acid tert-butyl ester
• CAS No.: 956317-40-1
• Molecular Formula: C10H20N2O3
• Molecular Weight: 216.28
• Hs Code.: 2933990090
• Mol file: 956317-40-1.mol

Synonyms:tert-butyl 6-hydroxy-1,4-diazepane-1-carboxylate;1-Boc-6-Hydroxy[1,4]diazepane;Tert-Butyl 6-Hydroxy-1,4-Diazepane-1-Carboxylate(WX604354);6-Hydroxy-[1,4]diazepane-1-carboxylic acid tert-butyl ester;Hexahydro-6-hydroxy-1H-1,4-diazepine-1-carboxylic acid tert-butyl ester;hexahydro-6-hydroxy-1H-1,4-Diazepine-1-carboxylic acid 1,1-dimethylethyl ester;1H-1,4-Diazepine-1-carboxylic acid, hexahydro-6-hydroxy-, 1,1-dimethylethyl ester

Chemical Property of Hexahydro-6-hydroxy-1H-1,4-diazepine-1-carboxylic acid tert-butyl ester

Chemical Property:

• Boiling Point: 334.1±37.0 °C(Predicted)
• PKA: 14.34±0.20(Predicted)
• PSA: 61.80000
• Density: 1.106
• LogP: 0.45430

Purity/Quality:

97% ^*data from raw suppliers

1-Boc-6-Hydroxy[1,4]diazepane 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Hexahydro-6-hydroxy-1H-1,4-diazepine-1-carboxylic acid tert-butyl ester

There total 2 articles about Hexahydro-6-hydroxy-1H-1,4-diazepine-1-carboxylic acid tert-butyl ester 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: 92.0%

di-tert-butyl dicarbonate (24424-99-5) + 6-hydroxyhexahydro-1H-1,4-diazepine (28795-81-5) → tert-butyl 6-hydroxy-1,4-diazepane-1-carboxylate (956317-40-1)

Guidance literature:

With triethylamine; In methanol; at 15 ℃; for 12h;

Reference yield:

1,4-dibenzyl-1,4-diazepan-6-ol (389062-84-4) → tert-butyl 6-hydroxy-1,4-diazepane-1-carboxylate (956317-40-1)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen; 10 wt% Pd(OH)2 on carbon / methanol

2: triethylamine / methanol / 12 h / 15 °C

With 10 wt% Pd(OH)2 on carbon; hydrogen; triethylamine; In methanol;

Reference yield:

tert-butyl 6-hydroxy-1,4-diazepane-1-carboxylate (956317-40-1) + 2,6-dimethoxybenzoyl chloride (1989-53-3) → tert-butyl 4-(2,6-dimethoxybenzoyl)-6-hydroxy-1,4-diazepane-1-carboxylate (956317-41-2)

Guidance literature:

With triethylamine; In dichloromethane; at -78 - 20 ℃;

upstream raw materials:

di-tert-butyl dicarbonate

6-hydroxyhexahydro-1H-1,4-diazepine

1,4-dibenzyl-1,4-diazepan-6-ol

Downstream raw materials:

tert-butyl 4-(2,6-dimethoxybenzoyl)-6-hydroxy-1,4-diazepane-1-carboxylate

tert-butyl 4-(2,6-dimethoxybenzoyl)-6-oxo-1,4-diazepane-1-carboxylate

1-(2,6-dimethoxybenzoyl)-1,4-diazepan-6-ol hydrochloride