Dimethyl [(4-chlorophenyl)methyl]propanedioate

Base Information

Chemical Name:Dimethyl [(4-chlorophenyl)methyl]propanedioate
CAS No.:88466-70-0
Molecular Formula:C12H13ClO4
Molecular Weight:256.686
Hs Code.:
DSSTox Substance ID:DTXSID80526632
Nikkaji Number:J1.985.491D
Wikidata:Q82395284

Synonyms:88466-70-0;dimethyl 2-(4-chlorobenzyl)malonate;Dimethyl [(4-chlorophenyl)methyl]propanedioate;SCHEMBL15180970;DTXSID80526632;RLNNNKFPXSLQAI-UHFFFAOYSA-N

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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 Dimethyl [(4-chlorophenyl)methyl]propanedioate

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:256.0502366
Heavy Atom Count:17
Complexity:256

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Dimethyl [(4-chlorophenyl)methyl]propanedioate

There total 6 articles about Dimethyl [(4-chlorophenyl)methyl]propanedioate 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: 88.0%

: 18424-76-5
sodiodimethylmalonate

: 873-76-7
para-Chlorobenzyl alcohol

: 88466-70-0
dimethyl 2-(4-chlorobenzyl)malonate

Guidance literature:: para-Chlorobenzyl alcohol; With trifluoromethylsulfonic anhydride; 1,1'-sulfinylbisbenzene; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene; In toluene; at -78 ℃;

sodiodimethylmalonate; In tetrahydrofuran; toluene; at -78 - 20 ℃;
DOI:10.1246/cl.2004.8

Reference yield: 67.0%

: 186581-53-3,908094-01-9,334-88-3
diazomethane

: 88466-67-5
2,2-dimethyl-5-(4-chlorophenyl)methyl-1,3-dioxane-4,6-dione

: 75-65-0
tert-butyl alcohol

: 88466-70-0
dimethyl 2-(4-chlorobenzyl)malonate

: 88466-69-7
1-tert-butyl 3-methyl 2-(4-chlorobenzyl)malonate

Guidance literature:

Reference yield: 48.0%

: 622-95-7
4-chlorobenzyl bromide

: 108-59-8
malonic acid dimethyl ester

: 88466-70-0
dimethyl 2-(4-chlorobenzyl)malonate

Guidance literature:: malonic acid dimethyl ester; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 0.5h; Cooling with ice;

4-chlorobenzyl bromide; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 1.33333h; Cooling with ice;