DIMETHYL 4-CYANO-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]HEPTANEDIOATE

Base Information

Chemical Name:DIMETHYL 4-CYANO-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]HEPTANEDIOATE
CAS No.:152630-48-3
Molecular Formula:C22H29 N O6
Molecular Weight:403.475
Hs Code.:
DSSTox Substance ID:DTXSID10445246
Mol file:152630-48-3.mol

Synonyms:Heptanedioicacid, 4-cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]-, dimethyl ester (9CI);Dimethyl 4-Cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)pimelate

Suppliers and Price of DIMETHYL 4-CYANO-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]HEPTANEDIOATE

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 1 raw suppliers

Chemical Property of DIMETHYL 4-CYANO-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]HEPTANEDIOATE

Chemical Property:

PSA：94.85000
LogP:3.68438
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:12
Exact Mass:403.19948764
Heavy Atom Count:29
Complexity:571

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C(CCC(=O)OC)(CCC(=O)OC)C#N)OC2CCCC2

Technology Process of DIMETHYL 4-CYANO-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]HEPTANEDIOATE

There total 3 articles about DIMETHYL 4-CYANO-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]HEPTANEDIOATE 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: 90.0%

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

: 141333-36-0
4-cyanomethyl-2-cyclopentyloxy-1-methoxybenzene

: 152630-48-3
dimethyl 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)pimelate

Guidance literature:: With N-benzyl-trimethylammonium hydroxide; In methanol; acetonitrile; for 0.5h;

Reference yield:

: 67387-76-2
3-cyclopentyloxy-4-methoxybenzylaldehyde

: 152630-48-3
dimethyl 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)pimelate

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) LiBr, TMSCl, 2.) 1,1,3,3-tetramethyldisiloxane / 1.) CH₃CN, 15 min, 2.) CH₃CN, RT, 3 h

2: dimethylformamide / 18 h / Ambient temperature

3: 74 percent / Triton B / acetonitrile; methanol / 5 h / Heating

With chloro-trimethyl-silane; 1,1,3,3-Tetramethyldisiloxane; N-benzyl-trimethylammonium hydroxide; lithium bromide; In methanol; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm970090r

Reference yield:

: 141333-35-9
α-bromo-3-cyclopentyloxy-4-methoxytoluene

: 152630-48-3
dimethyl 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)pimelate

Guidance literature:: Multi-step reaction with 2 steps

1: dimethylformamide / 18 h / Ambient temperature

2: 74 percent / Triton B / acetonitrile; methanol / 5 h / Heating

With N-benzyl-trimethylammonium hydroxide; In methanol; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm970090r