Methyl 2-butyramidobenzoate

Base Information

• Chemical Name: Methyl 2-butyramidobenzoate
• CAS No.: 30006-30-5
• Molecular Formula: C12H15 N O3
• Molecular Weight: 221.256
• Hs Code.: 2924299090
• European Community (EC) Number: 250-000-1
• DSSTox Substance ID: DTXSID90184085
• Nikkaji Number: J249.901K
• Wikidata: Q83054956
• Mol file: 30006-30-5.mol

Synonyms:30006-30-5;Methyl 2-butyramidobenzoate;methyl 2-(butanoylamino)benzoate;methyl 2-butanamidobenzoate;methyl 2-[(1-oxobutyl)amino]benzoate;Methyl 2-((1-oxobutyl)amino)benzoate;EINECS 250-000-1;methyl 2-(butyrylamino)benzoate;Methyl2-butyramidobenzoate;DTXSID90184085;MFCD00091294;AKOS002944775;MS-6813;CS-0365098;2-(1-Oxobutylamino)benzoic acid methyl ester;AN-922/15358103;Benzoic acid, 2-[(1-oxobutyl)amino]-, methyl ester

Chemical Property of Methyl 2-butyramidobenzoate

Chemical Property:

• Vapor Pressure: 1.79E-06mmHg at 25°C
• Melting Point: 71 °C
• Boiling Point: 395.8°Cat760mmHg
• PKA: 14.51±0.70(Predicted)
• Flash Point: 193.2°C
• PSA: 58.89000
• Density: 1.143g/cm³
• LogP: 2.86130
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 221.10519334
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

METHYL 2-BUTYRAMIDOBENZOATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)NC1=CC=CC=C1C(=O)OC

Technology Process of Methyl 2-butyramidobenzoate

There total 4 articles about Methyl 2-butyramidobenzoate 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%

butyryl chloride (141-75-3) + 2-carbomethoxyaniline (134-20-3) → methyl 2-butyrylaminobenzoate (30006-30-5)

Guidance literature:

With potassium carbonate; In benzene; Heating;

DOI:10.1248/cpb.39.1746

Reference yield:

butanoic acid anhydride (106-31-0) + 2-carbomethoxyaniline (134-20-3) → methyl 2-butyrylaminobenzoate (30006-30-5)

Guidance literature:

Reference yield:

2-carbomethoxyaniline (134-20-3) + butyric acid (107-92-6) → methyl 2-butyrylaminobenzoate (30006-30-5)

Guidance literature:

upstream raw materials:

butanoic acid anhydride

2-carbomethoxyaniline

butyric acid

butyryl chloride

Downstream raw materials:

3-ethyl-quinoline-2,4-diol

(2-Butylamino-phenyl)-methanol

Butyl-[2-(1H-imidazole-2-sulfinylmethyl)-phenyl]-amine

Butyl-[2-(1H-imidazol-2-ylsulfanylmethyl)-phenyl]-amine