5-(Methyl(phenyl)amino)-5-oxopentanoic acid

Base Information

Chemical Name:5-(Methyl(phenyl)amino)-5-oxopentanoic acid
CAS No.:61797-99-7
Molecular Formula:C12H15NO3
Molecular Weight:221.256
Hs Code.:
DSSTox Substance ID:DTXSID70573190
Wikidata:Q82461798

Synonyms:61797-99-7;5-(Methyl(phenyl)amino)-5-oxopentanoic acid;5-[Methyl(phenyl)amino]-5-oxopentanoic acid;5-(N-methylanilino)-5-oxopentanoic acid;4-[methyl(phenyl)carbamoyl]butanoicacid;4-[methyl(phenyl)carbamoyl]butanoic acid;SCHEMBL5555256;DTXSID70573190;MFCD09046476;AKOS000130440;NS-02684

Suppliers and Price of 5-(Methyl(phenyl)amino)-5-oxopentanoic acid

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 5-(Methyl(phenyl)amino)-5-oxopentanoic acid

Chemical Property:

PSA：57.61000
LogP:1.90430
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:221.10519334
Heavy Atom Count:16
Complexity:247

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 5-(Methyl(phenyl)amino)-5-oxopentanoic acid

There total 1 articles about 5-(Methyl(phenyl)amino)-5-oxopentanoic 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: 90.0%

: 108-55-4
glutaric anhydride,

: 100-61-8
N-methylaniline

: 61797-99-7
5-(methyl(phenyl)amino)-5-oxopentanoic acid

Guidance literature:: In tetrahydrofuran; at 25 ℃; for 3h;
DOI:10.1021/jo000378f

Reference yield: 95.0%

: 67-56-1
methanol

: 61797-99-7
5-(methyl(phenyl)amino)-5-oxopentanoic acid

: 4-(methylphenylcarbamoyl)butyric acid methyl ester

Guidance literature:: With thionyl chloride; at 25 ℃; for 4h;
DOI:10.1021/jo000378f

Reference yield:

: 61797-99-7
5-(methyl(phenyl)amino)-5-oxopentanoic acid

: 100-52-7
benzaldehyde

: (R)-2-((R)-hydroxy(phenyl)methyl)-5-(methyl(phenyl)amino)-5-oxopentanoic acid

: 2-(hydroxy(phenyl)methyl)-5-(methyl(phenyl)amino)-5-oxopentanoic acid

Guidance literature:: 5-(methyl(phenyl)amino)-5-oxopentanoic acid; With chlorotriethoxysilane; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran;

benzaldehyde; With tetraacetyl diborate; ((4-(dimethylamino)-2,3,5,6-tetrafluorophenyl)sulfonyl)-L-valine; In tetrahydrofuran; at 20 ℃; for 12h; Overall yield = 73 percent; Overall yield = 48 mg; stereoselective reaction; Inert atmosphere;
DOI:10.1002/anie.202109788