Ethyl 2-Methyl-2-(4-sulfamoylphenyl)propionate

Base Information

• Chemical Name: Ethyl 2-Methyl-2-(4-sulfamoylphenyl)propionate
• CAS No.: 374067-94-4
• Molecular Formula: C12H17 N O4 S
• Molecular Weight: 271.337
• DSSTox Substance ID: DTXSID10454393
• Wikidata: Q82275893
• Mol file: 374067-94-4.mol

Synonyms:374067-94-4;Ethyl 2-Methyl-2-(4-sulfamoylphenyl)propionate;Ethyl 2-methyl-2-(4-sulfamoylphenyl)propanoate;SCHEMBL21962120;DTXSID10454393;4-(Aminosulfonyl)-|A,|A-dimethyl-benzeneacetic Acid Ethyl Ester;MFCD09952205;AKOS027447837;DS-19080;CS-0151893;FT-0668335;Ethyl2-methyl-2-(4-sulfamoylphenyl)propanoate;F20057;A918085

Chemical Property of Ethyl 2-Methyl-2-(4-sulfamoylphenyl)propionate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 68-71?C
• Refractive Index: 1.534
• Boiling Point: 402.23°C at 760 mmHg
• PKA: 10.06±0.10(Predicted)
• Flash Point: 197.062°C
• PSA: 94.84000
• Density: 1.225g/cm³
• LogP: 2.95580
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 271.08782920
• Heavy Atom Count: 18
• Complexity: 389

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-Methyl-2-(4-sulfamoylphenyl)propionate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)(C)C1=CC=C(C=C1)S(=O)(=O)N
• Uses: Ethyl 2-Methyl-2-(4-sulfamoylphenyl)propionate (cas# 374067-94-4) is a compound useful in organic synthesis.

Technology Process of Ethyl 2-Methyl-2-(4-sulfamoylphenyl)propionate

There total 2 articles about Ethyl 2-Methyl-2-(4-sulfamoylphenyl)propionate 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:

ethyl 2-(4-chlorosulfonylphenyl)-2-methylpropionate (321565-78-0) → ethyl 2-methyl-2-(4-sulfamoylphenyl)propionate (374067-94-4)

Guidance literature:

With ammonium hydroxide; In ethyl acetate; at 20 ℃; for 2h;

DOI:10.1021/jm000538f

Reference yield:

ethyl 2-methyl-2-phenylpropionate (2901-13-5) → ethyl 2-methyl-2-(4-sulfamoylphenyl)propionate (374067-94-4)

Guidance literature:

Multi-step reaction with 2 steps

1: ClSO₃H / CH₂Cl₂ / 22 h / 20 °C

2: 1.56 g / aq. NH₄OH / ethyl acetate / 2 h / 20 °C

With chlorosulfonic acid; ammonium hydroxide; In dichloromethane; ethyl acetate;

DOI:10.1021/jm000538f

Reference yield: 94.0%

ethyl 2-methyl-2-(4-sulfamoylphenyl)propionate (374067-94-4) → 2-methyl-2-(4-sulfamoylphenyl)propionic acid (374067-95-5)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃; for 22h;

DOI:10.1021/jm000538f

upstream raw materials:

ethyl 2-(4-chlorosulfonylphenyl)-2-methylpropionate

ethyl 2-methyl-2-phenylpropionate

Downstream raw materials:

2-methyl-2-(4-sulfamoylphenyl)propionic acid

4-(2-hydroxy-1,1-dimethylethyl)benzenesulfonamide

N-(6-chloro-5-(4-methylphenyl)-4-pyrimidinyl)-4-(2-hydroxy-1,1-dimethylethyl)benzenesulfonamide

2-(4-(N-(6-chloro-5-(4-methylphenyl)-4-pyrimidinyl)sulfamoyl)phenyl)-2-methylpropionic acid

Refernces