1H-Azepine-1-carboxylic acid ethyl

Base Information

• Chemical Name: 1H-Azepine-1-carboxylic acid ethyl
• CAS No.: 2955-79-5
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.192
• Hs Code.: 2933990090
• Mol file: 2955-79-5.mol

Synonyms:N-Ethoxycarbonyl-1H-azepine;1H-1-carboethoxyazepine;N-ethoxycarbonylazepine;Ethyl 1H-azepine-1-carboxylate;1-ethoxycarbonyl-1H-azepine;1H-azepine-1-carboxylic acid ethyl ester;azepine-1-carboxylic acid ethyl ester;

Chemical Property of 1H-Azepine-1-carboxylic acid ethyl

Chemical Property:

• PSA: 29.54000
• LogP: 1.98000

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Azepine-1-carboxylic acid ethyl

There total 5 articles about 1H-Azepine-1-carboxylic acid ethyl 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: 57.0%

N,O-bistrimethylsilyl-N-(ethoxycarbonyl)hydroxylamine (66121-61-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → N-ethoxycarbonylazepine (2955-79-5) + urethane (51-79-6)

Guidance literature:

at 90 ℃; for 75h;

DOI:10.1021/jo00315a024

Reference yield: 46.0%

ethyl N-{[(4-nitrobenzene)sulfonyl]oxy}carbamate (2955-74-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → N-carboethoxyaniline (101-99-5) + N-ethoxycarbonylazepine (2955-79-5)

Guidance literature:

With calcium oxide; In dichloromethane; for 5h; Product distribution; Ambient temperature; various inorganic solid bases were used;

DOI:10.1016/S0040-4020(01)90402-8

Reference yield: 36.0%

(1R,5S)-7-Phenyl-6-oxa-2,7-diaza-bicyclo[3.2.2]nona-3,8-diene-2-carboxylic acid ethyl ester (74804-41-4) → (1S,6R)-8-Phenyl-7-oxa-8,9-diaza-bicyclo[4.2.1]nona-2,4-diene-9-carboxylic acid ethyl ester (20089-10-5) + N-ethoxycarbonylazepine (2955-79-5)

Guidance literature:

In acetonitrile; for 20h; Irradiation;

DOI:10.3987/com-98-8318

upstream raw materials:

ethyl azidocarbonate

acetic acid

ethyl N-{[(4-nitrobenzene)sulfonyl]oxy}carbamate

benzene

Downstream raw materials:

8c,15-diphenyl-(8cr,8dt,13at)-8d,13a-dihydro-8cH-dibenzo[4',5';6',7']indeno[1',2':4,5]furo[3,2-b]azepine-9-carboxylic acid ethyl ester

8-phenyl-7-oxa-8,9-diaza-bicyclo[4.2.1]nona-2,4-diene-9-carboxylic acid ethyl ester

7-Phenyl-6-oxa-2,7-diaza-bicyclo[3.2.2]nona-3,8-diene-2-carboxylic acid ethyl ester

(1R,5S)-7-Phenyl-6-oxa-2,7-diaza-bicyclo[3.2.2]nona-3,8-diene-2-carboxylic acid ethyl ester