Methyl 2-(3-formylphenyl)acetate

Base Information

• Chemical Name: Methyl 2-(3-formylphenyl)acetate
• CAS No.: 142327-44-4
• Molecular Formula: C₁₀H₁₀O₃
• Molecular Weight: 178.188
• European Community (EC) Number: 836-917-5
• Mol file: 142327-44-4.mol

Synonyms:Methyl 2-(3-formylphenyl)acetate;142327-44-4;methyl 3-formylphenylacetate;methyl(3-formylphenyl)acetate;Methyl (3-formylphenyl)acetate;SCHEMBL1124720;methyl (3-formylphenyl)-acetate;Methyl2-(3-formylphenyl)acetate;FFUBFLSGFOHPKF-UHFFFAOYSA-N;3-(Methoxycarbonylmethyl)benzaldehyde;MFCD15523582;AKOS022188473;(3-formylphenyl)acetic acid methyl ester;AS-48364;(3-formylphenyl)-acetic acid methyl ester;(3-Formyl-phenyl)-acetic Acid Methyl Ester;CS-0150712;F30550;EN300-4269241;Z1255463385

Chemical Property of Methyl 2-(3-formylphenyl)acetate

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-(3-formylphenyl)acetate

There total 13 articles about Methyl 2-(3-formylphenyl)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: 78.0%

methyl 2-(3-(bromomethyl)phenyl)acetate (104508-22-7) → methyl 3-formylphenylacetate (142327-44-4)

Guidance literature:

With 4-methylmorpholine N-oxide; In toluene; acetonitrile; at 20 ℃; for 3h;

Reference yield:

3-hydroxy-benzeneacetic acid, methyl ester (42058-59-3) → methyl 3-formylphenylacetate (142327-44-4)

Guidance literature:

Multi-step reaction with 3 steps

1: NEt₃ / CH₂Cl₂ / 1 h / 0 °C

2: Pd(PPh₃)4 / dimethylformamide / 30 h / 80 °C

3: formic acid / Raney-nickel / 10 h / 110 °C

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; formic acid; triethylamine; nickel; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2006.08.052

Reference yield:

(3-cyano-phenyl)-acetic acid methyl ester (52798-00-2) → methyl 3-formylphenylacetate (142327-44-4)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

upstream raw materials:

(3-cyano-phenyl)-acetic acid methyl ester

methyl 2-(3-(bromomethyl)phenyl)acetate

m-hydroxyphenylacetic acid

3-hydroxy-benzeneacetic acid, methyl ester

Downstream raw materials:

[3-(hydroxyimino-methyl)-phenyl]-acetic acid methyl ester

{3-[(4-butyl-benzylamino)-methyl]-phenyl}-acetic acid methyl ester

methyl [3-({[2-(6-amino2-butoxy-8-methoxy-9H-purin-9-yl)ethyl]amino}methyl)phenyl]acetate

2-(3-formylphenyl)acetic acid