5-Bromo-2-butyramidobenzoic acid

Base Information

• Chemical Name: 5-Bromo-2-butyramidobenzoic acid
• CAS No.: 73721-76-3
• Molecular Formula: C₁₁H₁₂BrNO₃
• Molecular Weight: 286.125
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60505021
• Wikidata: Q82359850
• Mol file: 73721-76-3.mol

Synonyms:5-BROMO-2-BUTYRAMIDOBENZOIC ACID;73721-76-3;5-bromo-2-(butanoylamino)benzoic acid;5-BROMO-2-BUTYRAMIDOBENZOICACID;5-Bromo-2-butanamidobenzoic acid;DTXSID60505021;YCA72176;MFCD02032435;AKOS011325261;BS-24567;5-Bromo-2-[(1-oxobutyl)amino]benzoic acid;CS-0211577;A866039

Chemical Property of 5-Bromo-2-butyramidobenzoic acid

Chemical Property:

• PSA: 66.40000
• LogP: 2.95890
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 285.00006
• Heavy Atom Count: 16
• Complexity: 270

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-2-butyramidobenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Bromo-2-butyramidobenzoic acid

There total 3 articles about 5-Bromo-2-butyramidobenzoic acid 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: 87.0%

butyryl chloride (141-75-3) + 5-Bromo-2-aminobenzoic acid (5794-88-7) → 5-bromo-2-butyramidobenzoic acid (73721-76-3)

Guidance literature:

In benzene; Heating;

DOI:10.1007/s11094-006-0143-2

Reference yield: 55.0%

butyryl chloride (141-75-3) + 5-bromo-2-aminobenzoic acid methyl ester (52727-57-8) → 5-bromo-2-butyramidobenzoic acid (73721-76-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1016/j.ejmech.2021.113976

Reference yield:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 5-bromo-2-butyramidobenzoic acid (73721-76-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂

2: 87 percent / benzene / Heating

With bromine; In benzene;

DOI:10.1007/s11094-006-0143-2

upstream raw materials:

butyryl chloride

5-Bromo-2-aminobenzoic acid

anthranilic acid

5-bromo-2-aminobenzoic acid methyl ester