Methyl 3-(4-cyanophenyl)bicyclo[1.1.1]pentane-1-carboxylate

Base Information

Chemical Name:Methyl 3-(4-cyanophenyl)bicyclo[1.1.1]pentane-1-carboxylate
CAS No.:131515-53-2
Molecular Formula:C₁₄H₁₃NO₂
Molecular Weight:227.263
Hs Code.:
DSSTox Substance ID:DTXSID101189997

Synonyms:methyl 3-(4-cyanophenyl)bicyclo[1.1.1]pentane-1-carboxylate;131515-53-2;DTXSID101189997

Suppliers and Price of Methyl 3-(4-cyanophenyl)bicyclo[1.1.1]pentane-1-carboxylate

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 Methyl 3-(4-cyanophenyl)bicyclo[1.1.1]pentane-1-carboxylate

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:227.094628657
Heavy Atom Count:17
Complexity:378

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C12CC(C1)(C2)C3=CC=C(C=C3)C#N

Technology Process of Methyl 3-(4-cyanophenyl)bicyclo[1.1.1]pentane-1-carboxylate

There total 3 articles about Methyl 3-(4-cyanophenyl)bicyclo[1.1.1]pentane-1-carboxylate 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:

: 83249-10-9
3‐(methoxycarbonyl)bicyclo[1.1.1]pentane‐1‐carboxylic acid

: 131515-53-2
3-(4-Cyano-phenyl)-bicyclo[1.1.1]pentane-1-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 100 percent / thionyl chloride / 1.5 h / Heating

2: 75 percent / methyllithium / tetrahydrofuran; diethyl ether; 2,2,4-trimethyl-pentane / 1 h / Ambient temperature

3: Heating

With thionyl chloride; methyllithium; In tetrahydrofuran; 2,2,4-trimethylpentane; diethyl ether;
DOI:10.1021/jo00001a058

Reference yield:

: 110371-22-7
methyl 3-(chlorocarbonyl)bicyclo<1.1.1>pentane-1-carboxylate

: 131515-53-2
3-(4-Cyano-phenyl)-bicyclo[1.1.1]pentane-1-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / methyllithium / tetrahydrofuran; diethyl ether; 2,2,4-trimethyl-pentane / 1 h / Ambient temperature

2: Heating

With methyllithium; In tetrahydrofuran; 2,2,4-trimethylpentane; diethyl ether;
DOI:10.1021/jo00001a058