3-AMINO-AZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Base Information

• Chemical Name: 3-AMINO-AZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
• CAS No.: 609789-17-5
• Molecular Formula: C11H22N2O2
• Molecular Weight: 214.308
• Hs Code.: 2922498590
• Mol file: 609789-17-5.mol

Synonyms:3-AMINO-AZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Chemical Property of 3-AMINO-AZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Chemical Property:

• Vapor Pressure: 0.00143mmHg at 25°C
• Refractive Index: 1.479
• Boiling Point: 296.5°C at 760 mmHg
• PKA: 10.35±0.20(Predicted)
• Flash Point: 133.1°C
• PSA: 55.56000
• Density: 1.02g/cm³
• LogP: 2.37290
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

99%, ^*data from raw suppliers

3-Aminoazepane-1-carboxylicAcidtert-ButylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Aminoazepane-1-carboxylic Acid tert-Butyl Ester is used in the preparation of ureidothiophenes, as CHK1 kinase inhibitors for treating neoplasm.

Technology Process of 3-AMINO-AZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

There total 8 articles about 3-AMINO-AZEPANE-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: 82.0%

tert-butyl 2,3,4,5-tetrahydro-1H-azepine-1-carboxylate (178172-25-3) → 1-tert-butoxycarbonyl-3-amino-hexahydroazepine (609789-17-5)

Guidance literature:

With 3,6‐di‐tert‐butyl‐9‐mesityl‐10‐phenylacridin‐10‐ium tetrafluoroborate; sodium acetate; ammonium carbamate; thiophenol; In 1,2-dichloro-ethane; Inert atmosphere; Irradiation;

DOI:10.1021/acscatal.1c00099

Reference yield:

tert-Butyl 3-{[(benzyloxy)carbonyl]amino}azepane-1-carboxylate (1044561-17-2) → 1-tert-butoxycarbonyl-3-amino-hexahydroazepine (609789-17-5)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; at 20 ℃; for 4h;

Reference yield:

N-Boc-perhydroazepine (123387-52-0) → 1-tert-butoxycarbonyl-3-amino-hexahydroazepine (609789-17-5)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium nitrate; copper diacetate; 3,6‐di‐tert‐butyl‐9‐mesityl‐10‐phenylacridin‐10‐ium tetrafluoroborate / acetonitrile / Irradiation; Inert atmosphere

2: 3,6‐di‐tert‐butyl‐9‐mesityl‐10‐phenylacridin‐10‐ium tetrafluoroborate; thiophenol; sodium acetate; ammonium carbamate / 1,2-dichloro-ethane / Inert atmosphere; Irradiation

With 3,6‐di‐tert‐butyl‐9‐mesityl‐10‐phenylacridin‐10‐ium tetrafluoroborate; lithium nitrate; copper diacetate; sodium acetate; ammonium carbamate; thiophenol; In 1,2-dichloro-ethane; acetonitrile;

DOI:10.1021/acscatal.1c00099

upstream raw materials:

di-tert-butyl dicarbonate

DL-3-aminohexahydro-1H-azepin

tert-Butyl 3-{[(benzyloxy)carbonyl]amino}azepane-1-carboxylate

N-Boc-perhydroazepine

Downstream raw materials:

1-tert-butoxycarbonyl-3-(phenylamino)hexahydroazepine

benzyl azepan-3-ylcarbamate

tert-Butyl 3-{[(benzyloxy)carbonyl]amino}azepane-1-carboxylate

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