4-(4-cyanophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: 4-(4-cyanophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester
• CAS No.: 868063-74-5
• Molecular Formula: C₁₇H₂₃N₃O₂
• Molecular Weight: 301.389
• Mol file: 868063-74-5.mol

Synonyms:4-(4-cyanophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester

Chemical Property of 4-(4-cyanophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(4-cyanophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester

There total 3 articles about 4-(4-cyanophenyl)-1,4-diazepane-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: 93.0%

4-bromobenzenecarbonitrile (623-00-7) + tert-butyl 1,4-diazepine-1-carboxylate (112275-50-0) → 4-(4-cyanophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester (868063-74-5)

Guidance literature:

With palladium diacetate; sodium t-butanolate; XPhos; In toluene; tert-butyl alcohol; at 120 ℃; Inert atmosphere;

DOI:10.1016/j.tet.2009.07.086

Reference yield: 63.0%

4-fluorobenzonitrile (1194-02-1,143234-87-1) + tert-butyl 1,4-diazepine-1-carboxylate (112275-50-0) → 4-(4-cyanophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester (868063-74-5)

Guidance literature:

With triethylamine; In dimethyl sulfoxide; at 100 ℃; for 16h;

DOI:10.1016/j.bmc.2013.01.071

Reference yield: 60.0%

→ 4-(4-cyanophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester (868063-74-5)

Guidance literature:

upstream raw materials:

4-fluorobenzonitrile

tert-butyl 1,4-diazepine-1-carboxylate

4-bromobenzenecarbonitrile

Downstream raw materials:

1-(4-cyanophenyl)-1,4-diazepane hydrochloride

4-(1,4-diazepan-1-yl)benzonitrile

4-[4-(3-benzo[b]thiophen-3-yl-3-hydroxypropyl)-[1,4]-diazepan-1-yl]benzonitrile

4-[4-(3-benzo[b]thiophen-3-yl-3-oxopropyl)-[1,4]-diazepan-1-yl]benzonitrile hydrochloride