4-(4-Methylbenzene-1-sulfonyl)butanoic acid

Base Information

• Chemical Name: 4-(4-Methylbenzene-1-sulfonyl)butanoic acid
• CAS No.: 29193-67-7
• Molecular Formula: C11H14O4S
• Molecular Weight: 0
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00502539
• Wikidata: Q82355677
• Mol file: 29193-67-7.mol

Synonyms:29193-67-7;4-Tosylbutanoic acid;4-(4-Methylbenzene-1-sulfonyl)butanoic acid;4-(TOLUENE-4-SULFONYL)-BUTYRIC ACID;4-(4-METHYLBENZENESULFONYL)BUTANOIC ACID;4-(4-methylphenyl)sulfonylbutanoic acid;SCHEMBL19066564;DTXSID00502539;MFCD10024473;AKOS005137534;A1-24564

Chemical Property of 4-(4-Methylbenzene-1-sulfonyl)butanoic acid

Chemical Property:

• PSA: 79.82000
• LogP: 2.71430
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 242.06128010
• Heavy Atom Count: 16
• Complexity: 320

Purity/Quality:

99% ^*data from raw suppliers

4-(TOLUENE-4-SULFONYL)-BUTYRIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)O

Technology Process of 4-(4-Methylbenzene-1-sulfonyl)butanoic acid

There total 7 articles about 4-(4-Methylbenzene-1-sulfonyl)butanoic 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: 70.0%

homoallyl phenyl sulfide (4285-49-8) → 4-(p-toluylsulfonyl)butyric acid (29193-67-7)

Guidance literature:

With potassium peroxymonosulfate; iodobenzene; In water; acetonitrile; at 60 ℃; for 8h;

DOI:10.1021/ol1023807

Reference yield:

4-(p-tolylthio)butanoic acid (18850-48-1) → 4-(p-toluylsulfonyl)butyric acid (29193-67-7)

Guidance literature:

With dihydrogen peroxide; acetic acid;

Reference yield:

4-(4-methylphenyl)sulphinylbutyric acid (100059-07-2) → 4-(p-toluylsulfonyl)butyric acid (29193-67-7)

Guidance literature:

With peracetic acid; In acetic acid; at 20 ℃; Rate constant;

upstream raw materials:

4-butanolide

sodium 4-methylbenzenesulfinate

4-(p-tolylthio)butanoic acid

4-(4-methylphenyl)sulphinylbutyric acid