Butanoic acid, 4-(methylphenylamino)-

Base Information

• Chemical Name: Butanoic acid, 4-(methylphenylamino)-
• CAS No.: 26488-79-9
• Molecular Formula: C11H15NO2
• Molecular Weight: 193.246
• DSSTox Substance ID: DTXSID40457256
• Wikidata: Q82280034
• Mol file: 26488-79-9.mol

Synonyms:26488-79-9;Butanoic acid, 4-(methylphenylamino)-;4-(methyl(phenyl)amino)butanoic acid;4-[methyl(phenyl)amino]butanoic acid;4-[methyl(phenyl)amino]butanoicacid;SCHEMBL2677344;4-(N-methylanilino)butanoic acid;DTXSID40457256;QGFFPYGZQUFNIS-UHFFFAOYSA-N;AKOS009251420;AT35462;4-(N-methyl-N-phenylamino)butanoic acid;BP-26296;NS-01862

Chemical Property of Butanoic acid, 4-(methylphenylamino)-

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 176

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCCC(=O)O)C1=CC=CC=C1

Technology Process of Butanoic acid, 4-(methylphenylamino)-

There total 9 articles about Butanoic acid, 4-(methylphenylamino)- 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: 98.0%

ethyl 4-(Methyl(phenyl)amino)butanoate (38113-78-9) → 4-(methyl(phenyl)amino)butanoic acid (26488-79-9)

Guidance literature:

With potassium hydroxide; at 100 ℃; for 2h;

DOI:10.1002/chem.201301539

Reference yield: 98.0%

→ 4-(methyl(phenyl)amino)butanoic acid (26488-79-9)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; water; at 20 ℃; for 4h;

Reference yield: 88.0%

Ethyl 4-bromobutyrate (2969-81-5) + N-methylaniline (100-61-8) → 4-(methyl(phenyl)amino)butanoic acid (26488-79-9)

Guidance literature:

With 2,6-dimethylpyridine; In acetonitrile; for 16h; Reflux;

upstream raw materials:

ethyl 4-(Methyl(phenyl)amino)butanoate

N-methylaniline

Ethyl 4-bromobutyrate

tert-butyl phenylcarbamate

Downstream raw materials:

4-(methyl(4-((4-nitrophenyl)diazenyl)phenyl)amino)butanoic acid