2-[[4-(1,1-Dimethylethyl)phenyl]sulfonyl]-3-methylbutanoic acid

Base Information

• Chemical Name: 2-[[4-(1,1-Dimethylethyl)phenyl]sulfonyl]-3-methylbutanoic acid
• CAS No.: 134937-35-2
• Molecular Formula: C15H22O4S
• Molecular Weight: 298.403
• DSSTox Substance ID: DTXSID201173753
• Nikkaji Number: J394.173F
• Mol file: 134937-35-2.mol

Synonyms:DTXSID201173753;134937-35-2;2-[[4-(1,1-Dimethylethyl)phenyl]sulfonyl]-3-methylbutanoic acid

Chemical Property of 2-[[4-(1,1-Dimethylethyl)phenyl]sulfonyl]-3-methylbutanoic acid

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 298.12388035
• Heavy Atom Count: 20
• Complexity: 432

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)C(C)(C)C

Technology Process of 2-[[4-(1,1-Dimethylethyl)phenyl]sulfonyl]-3-methylbutanoic acid

There total 3 articles about 2-[[4-(1,1-Dimethylethyl)phenyl]sulfonyl]-3-methylbutanoic 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: 87.0%

2-(4-tert-Butyl-phenylsulfanyl)-3-methyl-butyric acid (140400-39-1) → 2-(4-tert-Butyl-benzenesulfonyl)-3-methyl-butyric acid (134937-35-2)

Guidance literature:

With dihydrogen peroxide; In acetic acid; 1.) RT, overnight, 2.) from 60 to 80 deg C, 4 h;

Reference yield:

2-bromoisovaleric acid (10323-40-7,565-74-2) → 2-(4-tert-Butyl-benzenesulfonyl)-3-methyl-butyric acid (134937-35-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 69 percent / Na₂CO₃ / H₂O / 168 h / Ambient temperature

2: 87 percent / 30percent H₂O₂ / acetic acid / 1.) RT, overnight, 2.) from 60 to 80 deg C, 4 h

With dihydrogen peroxide; sodium carbonate; In water; acetic acid;

Reference yield:

NaSph-4-Cme3 (54166-35-7) → 2-(4-tert-Butyl-benzenesulfonyl)-3-methyl-butyric acid (134937-35-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 69 percent / Na₂CO₃ / H₂O / 168 h / Ambient temperature

2: 87 percent / 30percent H₂O₂ / acetic acid / 1.) RT, overnight, 2.) from 60 to 80 deg C, 4 h

With dihydrogen peroxide; sodium carbonate; In water; acetic acid;

upstream raw materials:

2-(4-tert-Butyl-phenylsulfanyl)-3-methyl-butyric acid

2-bromoisovaleric acid

NaSph-4-Cme₃

Refernces