Pentanoic acid, 3-(benzoylamino)-4-oxo-, methyl ester, (S)-

Base Information

Chemical Name:Pentanoic acid, 3-(benzoylamino)-4-oxo-, methyl ester, (S)-
CAS No.:54819-26-0
Molecular Formula:C13H15NO4
Molecular Weight:249.26200
Hs Code.:
DSSTox Substance ID:DTXSID90450550
Wikidata:Q82270332

Synonyms:54819-26-0;Pentanoic acid, 3-(benzoylamino)-4-oxo-, methyl ester, (S)-;DTXSID90450550

Suppliers and Price of Pentanoic acid, 3-(benzoylamino)-4-oxo-, methyl ester, (S)-

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Pentanoic acid, 3-(benzoylamino)-4-oxo-, methyl ester, (S)-

Chemical Property:

PSA：72.47000
LogP:1.32800
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:249.10010796
Heavy Atom Count:18
Complexity:321

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)C(CC(=O)OC)NC(=O)C1=CC=CC=C1
Isomeric SMILES:CC(=O)[C@H](CC(=O)OC)NC(=O)C1=CC=CC=C1

Technology Process of Pentanoic acid, 3-(benzoylamino)-4-oxo-, methyl ester, (S)-

There total 2 articles about Pentanoic acid, 3-(benzoylamino)-4-oxo-, methyl ester, (S)- 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:

: 98-88-4
benzoyl chloride

: 54819-26-0
methyl 3-(benzoylamino)-4-oxovalerate

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / CH₂Cl₂ / 1 h / ice cooling

2: pyridine, 4-dimethylaminopyridine (DMAP) / 2 h / bath 90 deg C

With pyridine; dmap; triethylamine; In dichloromethane;
DOI:10.1248/cpb.34.2840