4-Methylphenyl 4-chlorobutanoate

Base Information

• Chemical Name: 4-Methylphenyl 4-chlorobutanoate
• CAS No.: 23051-24-3
• Molecular Formula: C11H13 Cl O2
• Molecular Weight: 212.67
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID00406624
• Wikidata: Q82211682
• Mol file: 23051-24-3.mol

Synonyms:4-METHYLPHENYL 4-CHLOROBUTANOATE;23051-24-3;(4-methylphenyl) 4-chlorobutanoate;p-Tolyl 4-chlorobutanoate;p-Tolyl4-chlorobutanoate;4-methylphenyl 4-chlorobutyrate;SCHEMBL11072170;DTXSID00406624;NACXKOQZXHRYPW-UHFFFAOYSA-N;AKOS001110575;Butanoic acid, 4-chloro-, 4-methylphenyl ester;Z90661805

Chemical Property of 4-Methylphenyl 4-chlorobutanoate

Chemical Property:

• PSA: 26.30000
• LogP: 2.91940
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 212.0604073
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

4-Methylphenyl 4-chlorobutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OC(=O)CCCCl

Technology Process of 4-Methylphenyl 4-chlorobutanoate

There total 2 articles about 4-Methylphenyl 4-chlorobutanoate 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:

p-cresol (106-44-5) + 4-Chlorobutanoyl chloride (4635-59-0) → 4-methylphenyl 4-chlorobutyrate (23051-24-3)

Guidance literature:

In nitrobenzene;

DOI:10.1007/BF01151467

Reference yield:

→ 4-methylphenyl 4-chlorobutyrate (23051-24-3)

Guidance literature:

p-Kresol, 4-Chlorbuttersaeure, H2SO4;

upstream raw materials:

p-cresol

4-Chlorobutanoyl chloride

Refernces