Ethyl 4-[(2-bromoacetyl)amino]benzoate

Base Information

• Chemical Name: Ethyl 4-[(2-bromoacetyl)amino]benzoate
• CAS No.: 29182-92-1
• Molecular Formula: C11H12BrNO3
• Molecular Weight: 286.12200
• DSSTox Substance ID: DTXSID90392284
• Mol file: 29182-92-1.mol

Synonyms:Ethyl 4-[(2-bromoacetyl)amino]benzoate;29182-92-1;Benzoic acid, 4-[(2-bromoacetyl)amino]-, ethyl ester;SCHEMBL6689489;DTXSID90392284;AKOS005348324

Chemical Property of Ethyl 4-[(2-bromoacetyl)amino]benzoate

Chemical Property:

• PSA: 55.40000
• LogP: 2.26970
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 285.00006
• Heavy Atom Count: 16
• Complexity: 250

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 4-[(2-bromoacetyl)amino]benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 4-[(2-bromoacetyl)amino]benzoate

There total 1 articles about Ethyl 4-[(2-bromoacetyl)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:

2-Bromoacetyl bromide (598-21-0) + p-aminoethylbenzoate (94-09-7) → 4-(bromoacetamido)benzoic acid,ethyl ester (29182-92-1)

Guidance literature:

With triethylamine; In dichloromethane; toluene;

Reference yield: 92.0%

4-(bromoacetamido)benzoic acid,ethyl ester (29182-92-1) + 1-phenyl-4-(piperazin-1-yl)quinolin-2(1H)-one → ethyl 4-(2-(4-(2-oxo-1-phenyl-1,2-dihydroquinolin-4-yl)piperazin-1-yl)acetamido)benzoate

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.bioorg.2022.105631

Reference yield: 86.0%

4-(bromoacetamido)benzoic acid,ethyl ester (29182-92-1) + 6-fluoro-4-(piperazin-1-yl)quinolin-2(1H)-one → ethyl 4-(2-(4-(6-fluoro-2-oxo-1,2-dihydroquinolin-4-yl)piperazin-1-yl)acetamido)benzoate

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.bioorg.2022.105631

upstream raw materials:

2-Bromoacetyl bromide

p-aminoethylbenzoate