Dimethyl 4-cyano-3-methoxyphthalate

Base Information

Chemical Name:Dimethyl 4-cyano-3-methoxyphthalate
CAS No.:105373-98-6
Molecular Formula:C₁₂H₁₁NO₅
Molecular Weight:249.223
Hs Code.:
DSSTox Substance ID:DTXSID301334689
Mol file:105373-98-6.mol

Synonyms:dimethyl 4-cyano-3-methoxyphthalate;105373-98-6;DTXSID301334689

Suppliers and Price of Dimethyl 4-cyano-3-methoxyphthalate

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 0 raw suppliers

Chemical Property of Dimethyl 4-cyano-3-methoxyphthalate

Chemical Property:

XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:249.06372245
Heavy Atom Count:18
Complexity:372

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=CC(=C1C(=O)OC)C(=O)OC)C#N

Technology Process of Dimethyl 4-cyano-3-methoxyphthalate

There total 2 articles about Dimethyl 4-cyano-3-methoxyphthalate 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: 81.0%

: 105373-97-5
2-cyano-1-methoxy-1,3-cyclohexadiene

: 762-42-5
dimethyl acetylenedicarboxylate

: 105373-98-6
dimethyl 4-cyano-3-methoxyphthalate

Guidance literature:: In toluene; for 24h; Heating;
DOI:10.1021/jo00375a043

Reference yield:

: 6609-56-9
2-methoxy-benzonitrile

: 105373-98-6
dimethyl 4-cyano-3-methoxyphthalate

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NH₃ liq., tert-butyl alcohol, Li, 2.) 1,3-pentadiene / 1.) THF, -78 deg C

2: 81 percent / toluene / 24 h / Heating

With penta-1,3-diene; ammonia; lithium; tert-butyl alcohol; In toluene;
DOI:10.1021/jo00375a043