4-[(3-Methylphenyl)amino]-4-oxobutanoic acid

Base Information

• Chemical Name: 4-[(3-Methylphenyl)amino]-4-oxobutanoic acid
• CAS No.: 62134-48-9
• Molecular Formula: C11H13NO3
• Molecular Weight: 207.229
• Hs Code.: 2924299090
• European Community (EC) Number: 666-064-2
• DSSTox Substance ID: DTXSID40354094
• Nikkaji Number: J1.034.828E
• Wikidata: Q27165802
• Mol file: 62134-48-9.mol

Synonyms:4-[(3-methylphenyl)amino]-4-oxobutanoic acid;62134-48-9;4-(3-methylanilino)-4-oxobutanoic acid;N-m-Tolyl-succinamic acid;4-Oxo-4-(m-tolylamino)butanoic acid;IFLab1_001298;3-[(3-methylphenyl)carbamoyl]propanoic acid;CBKinase1_000289;CBKinase1_012689;Cambridge id 5259998;Oprea1_459609;Oprea1_605829;SCHEMBL259380;CHEBI:94051;DTXSID40354094;VRJAEQGSNATVEE-UHFFFAOYSA-N;HMS1415K22;N-(3-Methylphenyl)succinamic acid;4-Oxo-4-(m-tolylamino)butanoicacid;MFCD00029835;STK267888;4-oxo-4-(3-toluidino)butanoic acid;AKOS000267281;IDI1_009165;LS-01328;BB 0240384;CS-0281042;FT-0678910;SR-01000414665;SR-01000414665-1;BRD-K50659736-001-01-6;Q27165802;Z56176901

Chemical Property of 4-[(3-Methylphenyl)amino]-4-oxobutanoic acid

Chemical Property:

• Vapor Pressure: 5.27E-09mmHg at 25°C
• Refractive Index: 1.59
• Boiling Point: 453.2°C at 760 mmHg
• Flash Point: 227.9°C
• PSA: 66.40000
• Density: 1.245g/cm³
• LogP: 1.87130
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 207.08954328
• Heavy Atom Count: 15
• Complexity: 240

Purity/Quality:

98%Min ^*data from raw suppliers

4-[(3-methylphenyl)amino]-4-oxobutanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-[(3-Methylphenyl)amino]-4-oxobutanoic acid

There total 1 articles about 4-[(3-Methylphenyl)amino]-4-oxobutanoic 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: 76.0%

succinic acid anhydride (108-30-5) + 1-amino-3-methylbenzene (108-44-1) → N-m-tolylsuccinamic acid (62134-48-9)

Guidance literature:

In benzene; for 2h; Heating;

Reference yield: 95.0%

ethanol (64-17-5) + N-m-tolylsuccinamic acid (62134-48-9) → N-m-Tolyl-succinamic acid ethyl ester

Guidance literature:

With thionyl chloride; for 0.416667h;

Reference yield: 90.0%

N-m-tolylsuccinamic acid (62134-48-9) + butan-1-ol (71-36-3) → N-m-Tolyl-succinamic acid butyl ester

Guidance literature:

With iron(III) perchlorate; for 2h; Ambient temperature;

upstream raw materials:

succinic acid anhydride

1-amino-3-methylbenzene

Downstream raw materials:

1-(m-tolyl)pyrrolidine-2,5-dione

1-(3-bromomethyl-phenyl)-pyrrolidine-2,5-dione

N,N'-bis(3-methylphenyl)oxalamide

Refernces

• 1、 Habash, Maha,Taha, Mutasem O.. "Ligand-based modelling followed by synthetic exploration unveil novel glycogen phosphorylase inhibitory leads". experimental part. p. 4746 - 4771. Retrieved 2011/09/20.
• 2、 Lee, Hye Sun,Yu, Ji Sook,Lee, Chang Kiu. "Substituent chemical shifts of N-arylsuccinanilic acids, N-arylsuccinimides, N-arylmaleanilic acids, and N-arylmaleimides". scheme or table. p. 711 - 715. Retrieved 2010/07/05.