Dimethyl 4-(3-chlorophenyl)-4-cyanoheptanedioate

Base Information

Chemical Name:Dimethyl 4-(3-chlorophenyl)-4-cyanoheptanedioate
CAS No.:65619-21-8
Molecular Formula:C16H18ClNO4
Molecular Weight:323.776
Hs Code.:
DSSTox Substance ID:DTXSID401221152

Synonyms:dimethyl 4-(3-chlorophenyl)-4-cyanoheptanedioate;65619-21-8;MFCD26398700;Heptanedioic acid, 4-(3-chlorophenyl)-4-cyano-, dimethyl ester;SCHEMBL4431087;NALQEAVLMLLZJN-UHFFFAOYSA-N;DTXSID401221152;AC7932;AKOS032455847;SY047181;A923718;1,7-Dimethyl 4-(3-chlorophenyl)-4-cyanoheptanedioate;4-(3-Chloro-phenyl)-4-cyano-heptanedioic acid dimethyl ester;4-(3-chloro-phenyl)-4-cyanoheptanedioic acid dimethyl ester.

Suppliers and Price of Dimethyl 4-(3-chlorophenyl)-4-cyanoheptanedioate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of Dimethyl 4-(3-chlorophenyl)-4-cyanoheptanedioate

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:323.0924357
Heavy Atom Count:22
Complexity:423

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)CCC(CCC(=O)OC)(C#N)C1=CC(=CC=C1)Cl

Technology Process of Dimethyl 4-(3-chlorophenyl)-4-cyanoheptanedioate

There total 1 articles about Dimethyl 4-(3-chlorophenyl)-4-cyanoheptanedioate 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: 64.0%

: 1529-41-5
3-chloro-benzeneacetonitrile

: 292638-85-8,9003-21-8,96-33-3
acrylic acid methyl ester

: 65619-21-8
4-(3-chloro-phenyl)-4-cyanoheptanedioic acid dimethyl ester.

Guidance literature:: With N-benzyl-trimethylammonium hydroxide; In tert-butyl alcohol; for 4h; Heating;
DOI:10.1021/jm00178a014

Reference yield: 76.0%

: 65619-21-8
4-(3-chloro-phenyl)-4-cyanoheptanedioic acid dimethyl ester.

: 65619-25-2
5-(3-chlorophenyl)-5-cyano-2-oxo-cyclohexanecarboxylic acid methyl ester

Guidance literature:: With potassium tert-butylate; In tetrahydrofuran; for 5h; Heating;
DOI:10.1021/jm00178a014

Reference yield:

: 65619-21-8
4-(3-chloro-phenyl)-4-cyanoheptanedioic acid dimethyl ester.

: 65619-29-6
1-(3-chlorophenyl)-4-oxocyclohexanecarbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: potassium tert-butylate

2: sulfuric acid; acetic acid

With sulfuric acid; potassium tert-butylate; acetic acid;