Methyl 2-(4-formylphenyl)acetate

Base Information

• Chemical Name: Methyl 2-(4-formylphenyl)acetate
• CAS No.: 96524-70-8
• Molecular Formula: C10H10O3
• Molecular Weight: 178.188
• Hs Code.: 2918300090
• European Community (EC) Number: 971-967-2
• Nikkaji Number: J2.285.266C
• Mol file: 96524-70-8.mol

Synonyms:Methyl 2-(4-formylphenyl)acetate;96524-70-8;Methyl(p-formylphenyl)acetate;methyl (p-formylphenyl)acetate;Benzeneacetic acid, 4-formyl-, methyl ester;methyl (4-formylphenyl)acetate;MFCD17018734;(4-Formylphenyl)acetic acid methyl ester;4-Formylbenzeneacetic acid methyl ester;Methyl 4-formylphenylacetate;methyl(4-formylphenyl)acetate;SCHEMBL645184;Methyl2-(4-formylphenyl)acetate;YPJYQGMVBYQTTA-UHFFFAOYSA-N;BCP31443;CL9157;4-Formylbenzeneacetic acid methyl este;4-formylphenylacetic acid methyl ester;AKOS016010393;CS-W019639;DS-4655;SY113262;(4-formyl-phenyl)-acetic acid methyl ester;EN300-2131511;A858687;Z1255502340;4-(2-BROMOPROPYL)-1-PIPERAZINECARBOXYLICACID,1,1-DIMETHYLETHYLESTER;Methyl (4-formylphenyl)acetate

Chemical Property of Methyl 2-(4-formylphenyl)acetate

Chemical Property:

• Boiling Point: 285 oC
• Flash Point: 124 oC
• PSA: 43.37000
• Density: 1.157
• LogP: 1.21460
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl2-(4-formylphenyl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-(4-formylphenyl)acetate

There total 12 articles about Methyl 2-(4-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: 94.0%

methyl 4-(hydroxymethyl)phenylacetate (155380-11-3) → methyl 2-(4-formylphenyl)acetate (96524-70-8)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 25 ℃;

DOI:10.1016/j.bmcl.2005.03.020

Reference yield: 78.0%

ester monomethylique de l'acide p-phenylene diacetique (17833-56-6) → methyl 2-(4-formylphenyl)acetate (96524-70-8)

Guidance literature:

With mercury(II) fluoride; oxygen; In acetonitrile; at 25 ℃; for 24h; Irradiation;

DOI:10.1016/j.tetlet.2006.01.082

Reference yield: 65.0%

methyl 2-(4-(bromomethyl)phenyl)acetate (7398-42-7) → methyl 2-(4-formylphenyl)acetate (96524-70-8)

Guidance literature:

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

upstream raw materials:

4-(chloromethyl)-phenylacetic methylester

methyl 4-(hydroxymethyl)phenylacetate

ester monomethylique de l'acide p-phenylene diacetique

methyl 4-cyanobenzeneacetate

Downstream raw materials:

methyl 2-(4-(1,3-dioxolan-2-yl)phenyl)acetate

Refernces

• 1、 -. "IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME". Paragraph 00154-00155. . Retrieved 2019/03/05.
• 2、 -. "COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY". Page/Page column 74; 75. . Retrieved 2014/06/24.