Ethyl (4-bromo-2-cyanophenyl)carbamate

Base Information

• Chemical Name: Ethyl (4-bromo-2-cyanophenyl)carbamate
• CAS No.: 220269-80-7
• Molecular Formula: C10H9BrN2O2
• Molecular Weight: 269.098
• DSSTox Substance ID: DTXSID70593171
• Wikidata: Q82487602
• Mol file: 220269-80-7.mol

Synonyms:Ethyl (4-bromo-2-cyanophenyl)carbamate;220269-80-7;ETHYL N-(4-BROMO-2-CYANOPHENYL)CARBAMATE;SCHEMBL2830215;DTXSID70593171;NQFAHYWFJMMSLF-UHFFFAOYSA-N;MFCD20483623;AKOS021025567;Ethyl(4-bromo-2-cyanophenyl)carbamate;N16938;(4-Bromo-2-cyano-phenyl)-carbamic acid ethyl ester

Chemical Property of Ethyl (4-bromo-2-cyanophenyl)carbamate

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 267.98474
• Heavy Atom Count: 15
• Complexity: 274

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)NC1=C(C=C(C=C1)Br)C#N

Technology Process of Ethyl (4-bromo-2-cyanophenyl)carbamate

There total 3 articles about Ethyl (4-bromo-2-cyanophenyl)carbamate 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: 68.0%

2-amino-5-bromobenzonitrile (39263-32-6) + chloroformic acid ethyl ester (541-41-3) → ethyl (4-bromo-2-cyanophenyl)carbamate (220269-80-7)

Guidance literature:

for 5h; Heating / reflux;

Reference yield: 68.0%

chloroformic acid ethyl ester (541-41-3) + 2-bromo-5-chloro-benzonitrile (57381-37-0) → ethyl (4-bromo-2-cyanophenyl)carbamate (220269-80-7)

Guidance literature:

for 5h; Heating / reflux;

Reference yield:

2-amino-5-bromobenzonitrile (39263-32-6) → ethyl (4-bromo-2-cyanophenyl)carbamate (220269-80-7)

Guidance literature:

In ethyl acetate;

upstream raw materials:

2-amino-5-bromobenzonitrile

chloroformic acid ethyl ester

2-bromo-5-chloro-benzonitrile

Downstream raw materials:

9-bromo-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one