Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester

Base Information

Chemical Name:Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester
CAS No.:86396-51-2
Molecular Formula:C12H15NO3
Molecular Weight:221.256
Hs Code.:
DSSTox Substance ID:DTXSID40353527
Wikidata:Q82131175

Synonyms:86396-51-2;methyl 4-[(4-methylphenyl)amino]-4-oxobutanoate;Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester;Maybridge1_001960;CBDivE_001999;METHYL 3-[(4-METHYLPHENYL)CARBAMOYL]PROPANOATE;SCHEMBL14570553;HMS547B02;DTXSID40353527;STK364307;AKOS000344232;CCG-233271;Methyl 4-oxo-4-(p-tolylamino)butanoate;BB 0262998;SR-01000426735;SR-01000426735-1

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:221.10519334
Heavy Atom Count:16
Complexity:245

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)NC(=O)CCC(=O)OC

Technology Process of Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester

There total 8 articles about Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester 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: 92.3%

: 106-49-0,12221-03-3
p-toluidine

: 1490-25-1
succinic acid monomethylester chloride

: 86396-51-2
N-(4-methylphenyl)succinamide methyl ester

Guidance literature:: DOI:10.1007/BF02218769

Reference yield: 31.0%

: 2314-79-6
N-(p-tolyl)succinimide

: 64-17-5
ethanol

: 86396-51-2
N-(4-methylphenyl)succinamide methyl ester

Guidance literature:: With Amano PS; at 20 ℃; for 100h; Enzymatic reaction;

Reference yield:

: 106-49-0,12221-03-3
p-toluidine

: 86396-51-2
N-(4-methylphenyl)succinamide methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid / neat (no solvent, solid phase) / 0.1 h / Milling; Green chemistry

2: potassium carbonate / neat (no solvent, solid phase) / 0.13 h / Milling; Green chemistry

With potassium carbonate; toluene-4-sulfonic acid; In neat (no solvent, solid phase);