Ethyl 4-[(4-bromo-3-oxobutyl)amino]benzoate

Base Information

Chemical Name:Ethyl 4-[(4-bromo-3-oxobutyl)amino]benzoate
CAS No.:37660-61-0
Molecular Formula:C₁₃H₁₆BrNO₃
Molecular Weight:314.179
Hs Code.:
NSC Number:107442
DSSTox Substance ID:DTXSID50296072
Wikidata:Q82036403
Mol file:37660-61-0.mol

Synonyms:37660-61-0;ethyl 4-[(4-bromo-3-oxobutyl)amino]benzoate;NSC107442;DTXSID50296072;NSC-107442

Suppliers and Price of Ethyl 4-[(4-bromo-3-oxobutyl)amino]benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of Ethyl 4-[(4-bromo-3-oxobutyl)amino]benzoate

Chemical Property:

Vapor Pressure:2.36E-08mmHg at 25°C
Boiling Point:451.8°C at 760 mmHg
Flash Point:227.1°C
Density:1.408g/cm³
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:313.03136
Heavy Atom Count:18
Complexity:275

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CC=C(C=C1)NCCC(=O)CBr

Technology Process of Ethyl 4-[(4-bromo-3-oxobutyl)amino]benzoate

There total 3 articles about Ethyl 4-[(4-bromo-3-oxobutyl)amino]benzoate 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: 33.0%

: 4788-79-8
ethyl 4-[(3-oxobutyl)amino]benzoate

: 37660-61-0
ethyl 4-[(4-bromo-3-oxobutyl)amino]benzoate

Guidance literature:: With hydrogen bromide; bromine; acetic acid; at 25 ℃; for 2.5h;
DOI:10.1021/acs.jmedchem.6b00594

Reference yield:

: 94-09-7
p-aminoethylbenzoate

: 37660-61-0
ethyl 4-[(4-bromo-3-oxobutyl)amino]benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: ethanol / 4.5 h / Reflux

2: acetic acid; hydrogen bromide; bromine / 2.5 h / 25 °C

With hydrogen bromide; bromine; acetic acid; In ethanol; 1: |Michael Addition;
DOI:10.1021/acs.jmedchem.6b00594