2-methyl-2-(4-sulfamoylphenyl)propanoic Acid

Base Information

• Chemical Name: 2-methyl-2-(4-sulfamoylphenyl)propanoic Acid
• CAS No.: 374067-95-5
• Molecular Formula: C10H13 N O4 S
• Molecular Weight: 243.284
• DSSTox Substance ID: DTXSID00448125
• Wikidata: Q82267072
• Mol file: 374067-95-5.mol

Synonyms:2-Methyl-2-(4-sulfamoylphenyl)propionic Acid;374067-95-5;2-methyl-2-(4-sulfamoylphenyl)propanoic Acid;SCHEMBL21962301;DTXSID00448125;FT-0672145;F70090;EN300-1456891

Chemical Property of 2-methyl-2-(4-sulfamoylphenyl)propanoic Acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 165-175°C
• Refractive Index: 1.575
• Boiling Point: 443.725°C at 760 mmHg
• Flash Point: 222.157°C
• PSA: 105.84000
• Density: 1.354g/cm³
• LogP: 2.47730
• Storage Temp.: Refrigerator
• Solubility.: DMSO, Methanol
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 243.05652907
• Heavy Atom Count: 16
• Complexity: 361

Purity/Quality:

99%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC=C(C=C1)S(=O)(=O)N)C(=O)O
• Uses: 2-Methyl-2-(4-sulfamoylphenyl)propionic Acid (cas# 374067-95-5) is a compound useful in organic synthesis.

Technology Process of 2-methyl-2-(4-sulfamoylphenyl)propanoic Acid

There total 5 articles about 2-methyl-2-(4-sulfamoylphenyl)propanoic 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: 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

Reference yield:

C11H15NO4S → 2-methyl-2-(4-sulfamoylphenyl)propionic acid (374067-95-5)

Guidance literature:

With methanol; sodium hydroxide; at 25 ℃; for 12h; Cooling with ice;

Reference yield:

ethyl 2-methyl-2-phenylpropionate (2901-13-5) → 2-methyl-2-(4-sulfamoylphenyl)propionic acid (374067-95-5)

Guidance literature:

Multi-step reaction with 3 steps

1: ClSO₃H / CH₂Cl₂ / 22 h / 20 °C

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

3: 94 percent / aq. NaOH / methanol / 22 h / 20 °C

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

DOI:10.1021/jm000538f

upstream raw materials:

ethyl 2-methyl-2-(4-sulfamoylphenyl)propionate

ethyl 2-methyl-2-phenylpropionate

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

methyl 2-methyl-2-phenylpropionate

Downstream raw materials:

Ro 64-1056

2-(4-(N-(5-acetoxymethyl)phenyl-(6-(2-((5-bromo-2-pyrimidinyl)oxy)ethoxy)-4-pyrimidinyl)-N-acetylsulfamoyl)phenyl)-2-methylpropyl acetate

N-(6-(2-((5-bromo-2-pyrimidinyl)oxy)ethoxy)-5-(4-methylphenyl)-4-pyrimidinyl)-4-(1,1-dimethyl-2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)benzenesulfonamide

2-(4-(N-acetyl-N-(5-((4-bromomethyl)phenyl)-6-(2-((5-bromo-2-pyrimidinyl)oxy)ethoxy)-4-pyrimidinyl)sulfamoyl)phenyl)-2-methylpropyl acetate

Refernces

• 1、 Morimoto,Ohashi,Shimadzu,Kushiyama,Kawanishi,Hosaka,Kawase,Yasuda,Kikkawa,Yamauchi-Kohno,Yamada. "Potent and selective ET-A antagonists. 2. Discovery and evaluation of potent and water soluble N-(6-(2-(Aryloxy)ethoxy)-4-pyrimidinyl) sulfonamide derivatives". . p. 3369 - 3377. Retrieved 2007/10/03.