3-oxo-1-phenylCyclopentanecarbonitrile

Base Information

Chemical Name:3-oxo-1-phenylCyclopentanecarbonitrile
CAS No.:84409-26-7
Molecular Formula:C₁₂H₁₁NO
Molecular Weight:185.225
Hs Code.:
European Community (EC) Number:834-851-1

Synonyms:3-oxo-1-phenylCyclopentanecarbonitrile;84409-26-7;3-oxo-1-phenylcyclopentane-1-carbonitrile;SCHEMBL13163312;FT-0755648;EN300-6743096

Suppliers and Price of 3-oxo-1-phenylCyclopentanecarbonitrile

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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 3-oxo-1-phenylCyclopentanecarbonitrile

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:185.084063974
Heavy Atom Count:14
Complexity:282

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(CC1=O)(C#N)C2=CC=CC=C2

Technology Process of 3-oxo-1-phenylCyclopentanecarbonitrile

There total 5 articles about 3-oxo-1-phenylCyclopentanecarbonitrile 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: 78.0%

: 84409-21-2
4-Cyano-2-oxo-4-phenyl-cyclopentanecarboxylic acid tert-butyl ester

: 84409-26-7
3-oxo-1-phenylcyclopentane-1-carbonitrile

Guidance literature:: With toluene-4-sulfonic acid; In benzene; Heating;

Reference yield: 10.0%

: 77-57-6
1-phenyl-1-cyclopentanecarbonitrile

: 84409-26-7
3-oxo-1-phenylcyclopentane-1-carbonitrile

Guidance literature:: With (R,R)-Mn(CF₃-PDP)(MeCN)2(SbF₆)2; dihydrogen peroxide; chloroacetic acid; In water; acetonitrile; at 0 ℃; for 3h; chemoselective reaction;
DOI:10.1038/s41557-018-0175-8

Reference yield:

: 22485-02-5
tert-butyl 3-cyano-3-phenylpropanoate

: 84409-26-7
3-oxo-1-phenylcyclopentane-1-carbonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: 98 percent / aq.sodium hydroxide (40 percent), triethylbenzylammonium chloride / 2 h / 40 - 45 °C

2: 81 percent / sodium (powdered) / benzene / 2.5 h / Heating; other reagent (sodium amide)

3: 78 percent / p-toluenesulfonic acid / benzene / Heating

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; sodium; toluene-4-sulfonic acid; In benzene;