4-HYDROXYAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Base Information

• Chemical Name: 4-HYDROXYAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
• CAS No.: 478832-21-2
• Molecular Formula: C11H21NO3
• Molecular Weight: 215.293
• Hs Code.: 2933990090
• Mol file: 478832-21-2.mol

Synonyms:1-(tert-Butoxycarbonyl)-4-hydroxyazepan;1-(tert-Butoxycarbonyl)azepan-4-ol;tert-Butyl 4-hydroxyazepan-1-carboxylate;tert-Butyl4-hydroxyazepane-1-carboxylate;tert-Butyl4-hydroxyhexahydro-1H-azepine-1-carboxylate;

Chemical Property of 4-HYDROXYAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Chemical Property:

• Vapor Pressure: 5.3E-05mmHg at 25°C
• Refractive Index: 1.489
• Boiling Point: 310.6 °C at 760 mmHg
• PKA: 15.06±0.20(Predicted)
• Flash Point: 141.7 °C
• PSA: 25.78000
• Density: 1.079 g/cm³
• LogP: 2.90610
• Storage Temp.: 2-8°C

Purity/Quality:

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

4-Hydroxyazepane-1-carboxylicacidtert-butylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-HYDROXYAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

There total 9 articles about 4-HYDROXYAZEPANE-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: 99.1%

tert-butyl 4-oxoazepane-1-carboxylate (188975-88-4) → 4-hydroxy-hexahydro-1H-azepine-1-carboxylic acid 1,1-dimethylethyl ester (478832-21-2)

Guidance literature:

With lithium borohydride; In tetrahydrofuran; at 0 ℃; for 1h; Product distribution / selectivity;

Reference yield: 70.0%

1-benzyl-4-hydroxyhexahydro-1H-azepine (109162-29-0) + tert-butyldicarbonate (34619-03-9) → 4-hydroxy-hexahydro-1H-azepine-1-carboxylic acid 1,1-dimethylethyl ester (478832-21-2)

Guidance literature:

1-benzyl-4-hydroxyhexahydro-1H-azepine; With ammonium formate; palladium 10% on activated carbon; In ethanol; for 1h; Heating / reflux;

tert-butyldicarbonate; In dichloromethane; at 20 ℃; for 19h;

Reference yield: 70.0%

azepan-4-ol (39888-51-2) + di-tert-butyl dicarbonate (24424-99-5) → 4-hydroxy-hexahydro-1H-azepine-1-carboxylic acid 1,1-dimethylethyl ester (478832-21-2)

Guidance literature:

In dichloromethane; at 20 ℃; for 19h;

upstream raw materials:

azepan-4-ol

di-tert-butyl dicarbonate

tert-butyl 4-oxoazepane-1-carboxylate

1-benzyl-4-hydroxyhexahydro-1H-azepine

Downstream raw materials:

5-amino-N-(4-(azepan-4-yloxy)pyrimidin-5-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide

Refernces

• 1、 -. "SUBSTITUTED (AZA)INDOLE DERIVATIVES". Page/Page column 47. . Retrieved 2020/02/06.
• 2、 -. "12-EPI PLEUROMUTILINS". Paragraph 0580. . Retrieved 2016/12/01.