Methyl 4-(2-chloro-2-oxoethyl)benzoate

Base Information

Chemical Name:Methyl 4-(2-chloro-2-oxoethyl)benzoate
CAS No.:142667-04-7
Molecular Formula:C10H9ClO3
Molecular Weight:212.633
Hs Code.:
DSSTox Substance ID:DTXSID30599513
Wikidata:Q82495407

Synonyms:methyl 4-(2-chloro-2-oxoethyl)benzoate;142667-04-7;SCHEMBL1199408;DTXSID30599513;KEQUVXVLIIKCRO-UHFFFAOYSA-N;DA-21036

Suppliers and Price of Methyl 4-(2-chloro-2-oxoethyl)benzoate

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Methyl 4-(2-chloro-2-oxoethyl)benzoate

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:212.0240218
Heavy Atom Count:14
Complexity:219

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=CC=C(C=C1)CC(=O)Cl

Technology Process of Methyl 4-(2-chloro-2-oxoethyl)benzoate

There total 6 articles about Methyl 4-(2-chloro-2-oxoethyl)benzoate 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: 100.0%

: 22744-12-3
[4-(methoxycarbonyl)phenyl]acetic acid

: 142667-04-7
4-chlorocarbonylmethyl-benzoic acid methyl ester

Guidance literature:: With oxalyl dichloride; In dichloromethane; at 20 ℃; for 4h;

Reference yield:

: 1878-68-8
2-(4-bromophenyl)-acetic acid

: 142667-04-7
4-chlorocarbonylmethyl-benzoic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 16 h / 120 °C / 30003 Torr

2: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 2 h / 0 - 20 °C

With oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In dichloromethane;

Reference yield:

: 1679-64-7
Monomethyl terephthalate

: 142667-04-7
4-chlorocarbonylmethyl-benzoic acid methyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: thionyl chloride / benzene / 1 h / Heating

2: triethylamine / diethyl ether / 16 h / 20 °C

3: 910 mg / silver(I) acetate / dioxane; H₂O / 1.5 h / Heating

4: thionyl chloride / benzene / 1 h / Heating

With thionyl chloride; silver(I) acetate; triethylamine; In 1,4-dioxane; diethyl ether; water; benzene; 2: Arndt-Eistert synthesis / 3: Arndt-Eistert rearrangement;
DOI:10.1016/j.bmc.2006.08.029