Methyl 3-[4-(chloromethyl)phenyl]propanoate

Base Information

• Chemical Name: Methyl 3-[4-(chloromethyl)phenyl]propanoate
• CAS No.: 6937-69-5
• Molecular Formula: C18H14Cl2N2O5S2
• Molecular Weight: 212.6727
• NSC Number: 39280
• DSSTox Substance ID: DTXSID00989149
• Wikidata: Q82978048

Synonyms:6937-69-5;methyl 3-[4-(chloromethyl)phenyl]propanoate;NSC39280;SCHEMBL5567796;DTXSID00989149;NSC-39280

Chemical Property of Methyl 3-[4-(chloromethyl)phenyl]propanoate

Chemical Property:

• Vapor Pressure: 0.00136mmHg at 25°C
• Boiling Point: 297.3°Cat760mmHg
• Flash Point: 143.2°C
• Density: 1.14g/cm³
• XLogP3: 2.7
• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC1=CC=C(C=C1)CCl

Technology Process of Methyl 3-[4-(chloromethyl)phenyl]propanoate

There total 1 articles about Methyl 3-[4-(chloromethyl)phenyl]propanoate 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-(Chlormethyl)-hydrozimtsaeure-methylester (6937-69-5)

Guidance literature:

p-(Chlormethyl)-hydrozimtsaeure, 1.) Me., m. trock. HCl saettigen, 25grad, 2.) kochen, 1 Std.;

DOI:10.1021/jo01060a035

Reference yield: 90.0%

3-(4-nitrophenyl)-1H-pyridin-2-one (660440-56-2) + p-(Chlormethyl)-hydrozimtsaeure-methylester (6937-69-5) → 3-{4-[3-(4-nitro-phenyl)-2-oxo-2H-pyridin-1-ylmethyl]-phenyl}-propionic acid methyl ester (884348-01-0)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 25 ℃;

DOI:10.1016/j.bmcl.2006.01.025

Downstream raw materials:

3-{4-[3-(4-nitro-phenyl)-2-oxo-2H-pyridin-1-ylmethyl]-phenyl}-propionic acid methyl ester

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