Butanoic acid, 4-[(2-bromophenyl)amino]-4-oxo-

Base Information

• Chemical Name: Butanoic acid, 4-[(2-bromophenyl)amino]-4-oxo-
• CAS No.: 62134-47-8
• Molecular Formula: C10H10BrNO3
• Molecular Weight: 272.098
• DSSTox Substance ID: DTXSID30353551
• Wikidata: Q82131208
• Mol file: 62134-47-8.mol

Synonyms:CBDivE_010217;62134-47-8;Butanoic acid, 4-[(2-bromophenyl)amino]-4-oxo-;Cambridge id 5133960;Oprea1_242659;DTXSID30353551;AKOS000296084;SR-01000196507;SR-01000196507-1

Chemical Property of Butanoic acid, 4-[(2-bromophenyl)amino]-4-oxo-

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 270.98441
• Heavy Atom Count: 15
• Complexity: 245

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Butanoic acid, 4-[(2-bromophenyl)amino]-4-oxo-

There total 1 articles about Butanoic acid, 4-[(2-bromophenyl)amino]-4-oxo- 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: 78.0%

succinic acid anhydride (108-30-5) + 2-bromoaniline (615-36-1) → N-(o-bromophenyl)succinamic acid (62134-47-8)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1002/chem.202002415

Reference yield: 93.0%

N-(o-bromophenyl)succinamic acid (62134-47-8) → N-(2-bromophenyl)-succinimide (115363-89-8)

Guidance literature:

With sodium acetate; acetic anhydride; at 70 - 80 ℃; for 4.5h;

DOI:10.1021/jo00253a028

Reference yield:

N-(o-bromophenyl)succinamic acid (62134-47-8) → N-(2-bromophenyl)-4-hydroxybutanamide (115363-92-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / sodium acetate, acetic anhydride / 4.5 h / 70 - 80 °C

2: 93 percent / NaBH₄ / ethanol / Heating

With sodium tetrahydroborate; sodium acetate; acetic anhydride; In ethanol;

DOI:10.1021/jo00253a028

upstream raw materials:

succinic acid anhydride

2-bromoaniline

Downstream raw materials:

N-(2-bromophenyl)-succinimide

N-(2-bromophenyl)-4-hydroxybutanamide

5-<(1,1-dimethylethyl)thio>-N-phenyl-2-pyrrolidinone

N-(o-bromophenyl)-5-<(1,1-dimethylethyl)thio>-2-pyrrolidinone

Refernces

• 1、 Beckwith, A. L. J.,Boate, D. R.. "Formation of Fused Tricyclic Azetidinones and Pyrrolidinones by Intramolecular SH2 Processes". . p. 4339 - 4348. Retrieved 2007/10/02.