Propanoic acid, 3-[(methylphenylamino)sulfonyl]-

Base Information

• Chemical Name: Propanoic acid, 3-[(methylphenylamino)sulfonyl]-
• CAS No.: 62416-04-0
• Molecular Formula: C10H13NO4S
• Molecular Weight: 243.284
• DSSTox Substance ID: DTXSID60448126
• Wikidata: Q82267074
• Mol file: 62416-04-0.mol

Synonyms:62416-04-0;Propanoic acid, 3-[(methylphenylamino)sulfonyl]-;DTXSID60448126

Chemical Property of Propanoic acid, 3-[(methylphenylamino)sulfonyl]-

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 243.05652907
• Heavy Atom Count: 16
• Complexity: 327

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=CC=CC=C1)S(=O)(=O)CCC(=O)O

Technology Process of Propanoic acid, 3-[(methylphenylamino)sulfonyl]-

There total 1 articles about Propanoic acid, 3-[(methylphenylamino)sulfonyl]- 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:

→ 2-Carboxy-N-methyl-N-phenyl-aethansulfonamid (62416-04-0)

Guidance literature:

C2H5O-CO-CH2-CH2-SO2Cl, 1) N-Methylanilin, 2) NaOH, 3) HCl;

DOI:10.1021/ja00517a034

Reference yield: 84.0%

2-Carboxy-N-methyl-N-phenyl-aethansulfonamid (62416-04-0) + O-(2,4-dimethoxy-benzyl)-hydroxylamine (216067-66-2) → N-(2,4-dimethoxy-benzyloxy)-3-(methyl-phenyl-sulfamoyl)-propionamide (216067-73-1)

Guidance literature:

With 1-dimethylaminopropyl-3-ethylcarbodiimide hydrochloride; benzotriazol-1-ol; In N,N-dimethyl-formamide; for 18h; Ambient temperature;

DOI:10.1016/S0040-4039(98)01760-2

Downstream raw materials:

N-(2,4-dimethoxy-benzyloxy)-3-(methyl-phenyl-sulfamoyl)-propionamide

Refernces