1-Cyclohexene-1-carbonitrile, 3-oxo-

Base Information

• Chemical Name: 1-Cyclohexene-1-carbonitrile, 3-oxo-
• CAS No.: 25017-78-1
• Molecular Formula: C7H7NO
• Molecular Weight: 121.139
• Mol file: 25017-78-1.mol

Synonyms:3-oxocyclohex-1-enecarbonitrile;3-oxo-cyclohex-1-enecarbonitrile;3-cyano-2-cyclohexenone;3-oxocyclohex-1-ene-1-carbonitrile;3-cyano-2-cyclohexen-1-one;3-cyanocyclohex-2-enone;

Chemical Property of 1-Cyclohexene-1-carbonitrile, 3-oxo-

Chemical Property:

• PSA: 40.86000
• LogP: 1.18938

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-Cyclohexene-1-carbonitrile, 3-oxo-

There total 14 articles about 1-Cyclohexene-1-carbonitrile, 3-oxo- 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: 93.0%

3-hydroxycyclohex-1-enecarbonitrile (66333-29-7) → 3-cyano-2-cyclohexenone (25017-78-1)

Guidance literature:

With manganese(IV) oxide; In chloroform; for 1.5h; Ambient temperature;

Reference yield: 81.0%

cyclohex-1-enecarbonitrile (1855-63-6) → 3-cyano-2-cyclohexenone (25017-78-1)

Guidance literature:

With tert.-butylhydroperoxide; [bis(acetoxy)iodo]benzene; potassium carbonate; In decane; butyl butyrate; at -20 ℃; for 18h; regioselective reaction;

DOI:10.1021/ol100603q

Reference yield:

1,4-dioxaspiro[4.5]decan-7-one (4969-01-1) + sodium cyanide (143-33-9,25596-52-5) → 3-cyano-2-cyclohexenone (25017-78-1)

Guidance literature:

With sodium metabisulfite; Behandeln des hierbei erhaltenen Reaktionsprodukts mit wss. HCl;

DOI:10.1021/ja01133a034

upstream raw materials:

1,4-dioxaspiro[4.5]decan-7-one

sodium cyanide

3-hydroxycyclohex-1-enecarbonitrile

3-methoxycyclohex-2-en-1-one

Downstream raw materials:

cyclohexen-3-one-1-carboxylic acid