ethyl N-(4-bromophenyl)carbamate

Base Information

• Chemical Name: ethyl N-(4-bromophenyl)carbamate
• CAS No.: 7451-53-8
• Molecular Formula: C9H10BrNO2
• Molecular Weight: 244.088
• Hs Code.: 2924299090
• NSC Number: 97601
• DSSTox Substance ID: DTXSID60294660
• Nikkaji Number: J604.300C
• Wikidata: Q82034056
• ChEMBL ID: CHEMBL3683934
• Mol file: 7451-53-8.mol

Synonyms:ethyl N-(4-bromophenyl)carbamate;7451-53-8;ethyl (4-bromophenyl)carbamate;Carbamic acid, 4-bromophenyl-, ethyl ester;NSC97601;p-bromophenylurethane;ethyl 4-bromophenylcarbamate;(4-BROMOPHENYL)-CARBAMIC ACID ETHYL ESTER;ethyl(4-bromophenyl)carbamate;SCHEMBL1187780;CHEMBL3683934;DTXSID60294660;ZETBYFYOBYYVOE-UHFFFAOYSA-N;BDBM173878;NSC-97601;STK489844;AKOS000191992;CS-0249400;EN300-43389;D86004;US9102622, 48.2;Z31510257;Carbamic acid, 4-bromophenyl-, ethyl ester, ethyl (4-bromophenyl)carbamate

Chemical Property of ethyl N-(4-bromophenyl)carbamate

Chemical Property:

• Vapor Pressure: 0.0144mmHg at 25°C
• Boiling Point: 257.5°C at 760 mmHg
• Flash Point: 109.6°C
• PSA: 38.33000
• Density: 1.51g/cm³
• LogP: 3.09050
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 242.98949
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

ETHYL N-(4-BROMOPHENYL)CARBAMATE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of ethyl N-(4-bromophenyl)carbamate

There total 12 articles about ethyl N-(4-bromophenyl)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: 88.0%

chloroformic acid ethyl ester (541-41-3) + 4-bromo-aniline (106-40-1) → ethyl N-(4-bromophenyl)carbamate (7451-53-8)

Guidance literature:

With sodium carbonate; In toluene; at 20 ℃; for 4 - 6h;

Reference yield: 73.0%

potassium cyanate (590-28-3) + ethanol (64-17-5) + 4-Bromophenylboronic acid (5467-74-3) → ethyl N-(4-bromophenyl)carbamate (7451-53-8)

Guidance literature:

With copper(ll) bromide; at 60 ℃; for 24h;

DOI:10.1002/adsc.201100153

Reference yield: 71.0%

ethanol (64-17-5) + (1H-benzo[d][1,2,3]triazol-1-yl)(4-bromophenyl)methanone (313225-01-3) → ethyl N-(4-bromophenyl)carbamate (7451-53-8)

Guidance literature:

With sodium azide; In water; at 90 - 100 ℃; for 4h;

DOI:10.1039/c6ra14131e

upstream raw materials:

ethanol

chloroformic acid ethyl ester

4-bromo-aniline

4-bromophenyl isocyanate

Downstream raw materials:

4-bromophenyl isocyanate

3-(4-bromo-phenyl)-5-prop-2-ynyloxymethyl-oxazolidin-2-one

ethyl N-<4-bromo-2-(phthalimidomethyl)phenyl>carbamate

ethyl (2,4-dibromophenyl)carbamate