2-[p-(Chloromethyl)phenyl]propionic acid methyl ester

Base Information

• Chemical Name: 2-[p-(Chloromethyl)phenyl]propionic acid methyl ester
• CAS No.: 80530-54-7
• Molecular Formula: C₁₁H₁₃ClO₂
• Molecular Weight: 212.676
• European Community (EC) Number: 617-111-0
• DSSTox Substance ID: DTXSID001248934
• Nikkaji Number: J31.478A
• Mol file: 80530-54-7.mol

Synonyms:Methyl 2-[4-(chloromethyl)phenyl]propanoate;80530-54-7;2-[p-(Chloromethyl)phenyl]propionic acid methyl ester;Methyl 2-(4-(chloromethyl)phenyl)propanoate;SCHEMBL7619765;DTXSID001248934;Methyl 4-(chloromethyl)-alpha-methylbenzeneacetate

Chemical Property of 2-[p-(Chloromethyl)phenyl]propionic acid methyl ester

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 212.0604073
• Heavy Atom Count: 14
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-[p-(Chloromethyl)phenyl]propionic acid methyl ester

There total 1 articles about 2-[p-(Chloromethyl)phenyl]propionic acid methyl ester 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) + 2-[(p-chloromethyl)phenyl]propionic acid (80530-55-8) → 2-(4-chloromethylphenyl)-propionic acid methyl ester (80530-54-7)

Guidance literature:

With thionyl chloride; at 65 ℃; for 12h; Temperature;

upstream raw materials:

methanol

2-[(p-chloromethyl)phenyl]propionic acid

Refernces