Methyl 2-chloro-2-(p-tolyl)acetate

Base Information

• Chemical Name: Methyl 2-chloro-2-(p-tolyl)acetate
• CAS No.: 60162-33-6
• Molecular Formula: C10H11 Cl O2
• Molecular Weight: 198.65
• Hs Code.: 2916399090
• European Community (EC) Number: 611-939-6
• DSSTox Substance ID: DTXSID501281763
• Mol file: 60162-33-6.mol

Synonyms:60162-33-6;Methyl 2-chloro-2-(p-tolyl)acetate;METHYL P-METHYL-ALPHA-CHLORO PHENYLACETATE;methyl 2-chloro-2-(4-methylphenyl)acetate;SCHEMBL4779827;DTXSID501281763;AKOS011508092;cis-3-Benzyloxycyclobutanecarboxylic?acid;Methyl alpha-chloro-4-methylbenzeneacetate;FT-0653087

Chemical Property of Methyl 2-chloro-2-(p-tolyl)acetate

Chemical Property:

• Vapor Pressure: 0.011mmHg at 25°C
• Boiling Point: 262.452°C at 760 mmHg
• Flash Point: 121.244°C
• PSA: 26.30000
• Density: 1.164g/cm³
• LogP: 2.44790
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-chloro-2-(p-tolyl)acetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-chloro-2-(p-tolyl)acetate

There total 4 articles about Methyl 2-chloro-2-(p-tolyl)acetate 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:

methanol (67-56-1) + 4-methylmandelic acid (18584-20-8,31284-89-6,58690-84-9,75172-62-2) → chloro-p-tolyl-acetic acid methyl ester (60162-33-6)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; at 50 - 85 ℃; for 3.75h;

Reference yield:

pentafluorophenyl 2-(4-methylphenyl)acetate → chloro-p-tolyl-acetic acid methyl ester (60162-33-6)

Guidance literature:

Multi-step reaction with 2 steps

1: N-chloro-succinimide; 3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidine / tetrahydrofuran / 63 h / -60 °C / Schlenk technique

2: tetrahydrofuran / 8 h / -60 - 20 °C / Schlenk technique

With N-chloro-succinimide; 3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidine; In tetrahydrofuran;

DOI:10.1021/acs.orglett.1c02256

Reference yield:

methanol (67-56-1) + C15H8ClF5O2 → chloro-p-tolyl-acetic acid methyl ester (60162-33-6)

Guidance literature:

In tetrahydrofuran; at -60 - 20 ℃; for 8h; Schlenk technique;

DOI:10.1021/acs.orglett.1c02256

upstream raw materials:

methanol

4-methylmandelic acid

Downstream raw materials:

cis-1-(p-tolyl)-1,2-cyclopropanedicarboxylic acid

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