(2-Bromoethyl)acetanilide

Base Information

• Chemical Name: (2-Bromoethyl)acetanilide
• CAS No.: 7661-15-6
• Molecular Formula: C10H12BrNO
• Molecular Weight: 242.115
• DSSTox Substance ID: DTXSID401310971
• Nikkaji Number: J2.150.435A
• Mol file: 7661-15-6.mol

Synonyms:(2-bromoethyl)acetanilide;4-bromo-N-phenylbutanamide;N-phenyl-4-bromobutanamide;7661-15-6;SCHEMBL8132454;APLZQTBUGHFTCG-UHFFFAOYSA-N;DTXSID401310971

Chemical Property of (2-Bromoethyl)acetanilide

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 241.01023
• Heavy Atom Count: 13
• Complexity: 155

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2-Bromoethyl)acetanilide

There total 5 articles about (2-Bromoethyl)acetanilide 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: 95.0%

4-Hydroxy-N-phenylbutyramide (91012-01-0) → 4-bromobutanoic acid N-phenylamide (7661-15-6)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 20 ℃; for 14h;

DOI:10.1002/cssc.201700415

Reference yield: 53.0%

→ 4-bromobutanoic acid N-phenylamide (7661-15-6)

Guidance literature:

Reference yield:

bromobutyric acid (2623-87-2) + aniline (62-53-3) → 4-bromobutanoic acid N-phenylamide (7661-15-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; In tetrahydrofuran; at 20 ℃; for 5h;

upstream raw materials:

4-bromobutyroyl chloride

aniline

bromobutyric acid

4-Hydroxy-N-phenylbutyramide

Downstream raw materials:

4-azido-N-phenyl-butyramide

1-phenylpyrrolidin-2-one

2-phenyliminotetrahydrofuran

Refernces

• 1、 -. "Antineoplastic application of nitrogen oxides as novel histone deacetylase inhibitor". Paragraph 0040; 0041; 0043; 0045. . Retrieved 2017/10/13.
• 2、 Zhou, Bo,He, Yantao,Zhang, Xian,Xu, Jie,Luo, Yong,Wang, Yuehong,Franzblau, Scott G.,Yang, Zhenyun,Chan, Rebecca J.,Liu, Yan,Zheng, Jianyu,Zhang, Zhong-Yin. "Targeting mycobacterium protein tyrosine phosphatase B for antituberculosis agents". scheme or table. p. 4573 - 4578. Retrieved 2010/10/03.