Butanoic acid, 4-[(4-methylphenyl)thio]-

Base Information

• Chemical Name: Butanoic acid, 4-[(4-methylphenyl)thio]-
• CAS No.: 18850-48-1
• Molecular Formula: C11H14O2S
• Molecular Weight: 210.297
• Hs Code.: 2930909090
• European Community (EC) Number: 867-021-2
• NSC Number: 125379
• DSSTox Substance ID: DTXSID30298690
• Wikidata: Q82040669
• Mol file: 18850-48-1.mol

Synonyms:butanoic acid, 4-[(4-methylphenyl)thio]-;18850-48-1;4-[(4-methylphenyl)thio]butanoic acid;4-(4-methylphenyl)sulfanylbutanoic acid;4-[(4-methylphenyl)sulfanyl]butanoic acid;NSC125379;SCHEMBL417732;DTXSID30298690;HGFAYEMEDMUNOS-UHFFFAOYSA-N;AKOS000157497;NSC-125379;AS-79840;CS-0224324;EN300-118908;F2182-0129;Z285049588

Chemical Property of Butanoic acid, 4-[(4-methylphenyl)thio]-

Chemical Property:

• Vapor Pressure: 3.51E-06mmHg at 25°C
• Boiling Point: 371.7°Cat760mmHg
• Flash Point: 178.6°C
• PSA: 62.60000
• Density: 1.16g/cm³
• LogP: 2.95190
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 210.07145086
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

4-P-TOLYLSULFANYL-BUTYRIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SCCCC(=O)O
• Uses: 4-[(4-Methylphenyl)thio]butanoic acid is used as a reactant in the preparation of alkyl N-heteroarenes via iridium photoredox catalyzed regioselective decarboxylative alkylation of N-heteroarenes with N-(acyloxy)phthalimides.

Technology Process of Butanoic acid, 4-[(4-methylphenyl)thio]-

There total 4 articles about Butanoic acid, 4-[(4-methylphenyl)thio]- 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: 99.0%

ethyl 4-(p-tolylthio)butanoate (20458-90-6) → 4-(p-tolylthio)butanoic acid (18850-48-1)

Guidance literature:

ethyl 4-(p-tolylthio)butanoate; With methanol; sodium hydroxide; at 20 ℃; for 2h;

With hydrogenchloride; In water;

Reference yield: 74.9%

4-butanolide (96-48-0) + para-thiocresol (106-45-6) → 4-(p-tolylthio)butanoic acid (18850-48-1)

Guidance literature:

With sodium; In ethanol;

DOI:10.1002/jhet.5570170408

Reference yield:

4-butanolide (96-48-0) + sodium p-thiocresolate (10486-08-5) → 4-(p-tolylthio)butanoic acid (18850-48-1)

Guidance literature:

at 150 ℃;

upstream raw materials:

4-butanolide

sodium p-thiocresolate

para-thiocresol

ethyl 4-(p-tolylthio)butanoate

Downstream raw materials:

4-(p-toluylsulfonyl)butyric acid

4-(4-methylphenyl)sulphinylbutyric acid

N-Methyl-N-{2-[methyl-(4-p-tolylsulfanyl-butyryl)-amino]-ethyl}-4-p-tolylsulfanyl-butyramide

methyl 4-[(4-methylphenyl)thio]butanoate