25017-78-1

Basic information

• Product Name: 1-Cyclohexene-1-carbonitrile, 3-oxo-
• 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
• CAS NO: 25017-78-1
• Molecular Formula: C7H7NO
• Molecular Weight: 121.139
• Mol File: 25017-78-1.mol
• Article Data: 13

Chemical Properties

• CAS DataBase Reference: 1-Cyclohexene-1-carbonitrile, 3-oxo-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Cyclohexene-1-carbonitrile, 3-oxo-(25017-78-1)
• EPA Substance Registry System: 1-Cyclohexene-1-carbonitrile, 3-oxo-(25017-78-1)

Safety Data

• Hazardous Substances Data: 25017-78-1(Hazardous Substances Data)

Usage

Structure

Cyclic organic compound with a six-membered ring, carbon-carbon double bond, and a nitrile group

Functional groups

Ketone group (attached to the third carbon atom of the cyclohexene ring)

Usage

Organic synthesis, potential applications in pharmaceutical and agrochemical industries

Reactivity

Can undergo various chemical reactions to form different derivatives and products

Upstream product

• 1239316-12-1 3-oxocyclohex-1-ene-1-carboxamide 
• 24079-79-6 cyclohexen-3-one-1-carboxylic acid 
• 773837-37-9 sodium cyanide 
• 50870-61-6 2-bromocyclohex-2-en-1-one 
• 82053-13-2 1-trimethylsiloxy-2-cyclohexene-1-carbonitrile 
• 98098-45-4 1-cyano-3-diethylphosphonooxy-1-cyclohexene 
• 930-68-7 cyclohexenone 
• 504-02-9 1,3-cylohexanedione 
• 1855-63-6 cyclohex-1-enecarbonitrile 
• 66885-88-9 3-trimethylsiloxy-2-cyclohexene-1-carbonitrile 
• 854844-03-4 1,4-dioxa-spiro[4.5]dec-6-ene-7-carbonitrile 
• 16807-60-6 3-methoxycyclohex-2-en-1-one 
• 5804-85-3 diethylaluminium cyanide 
• 66333-29-7 3-hydroxycyclohex-1-enecarbonitrile 

Downstream Products

• 871465-67-7 1-cyano-3-methylenecyclohexene 
• 450406-20-9 3-hydroxy-3-methylcyclohex-1-ene-1-carbonitrile 
• 24079-79-6 cyclohexen-3-one-1-carboxylic acid 

Relevant articles and documents

A study of two geometric isomers of 1,1′-bi-3-cyanocyclohex-2-enylidene

The preparation, separation, crystal structure and 1H NMR spectra are reported for the two geometrical isomers of 1,1′-bi-3-cyanocyclohex-2-enylidene. The E-isomer crystallized as thin plates in the monoclinic space group P21,/n with a = 5.3980(5), b = 7.0757(7), c = 15.300(2) A, β = 94.571(2)°, and Z = 2. The structure has symmetry C2h. The Z-isomer crystallized as needles in the triclinic space group PT with a = 7.0790(6), b = 11.3155(9), c = 15.386(1) A, α = 104.943° β= 90.164(2)°, γ = 99.494(2)°, and Z = 4. The compound crystallized with two molecules per asymmetric unit. In C6D6,1H NMR signals of the 2-vinyl protons appear almost identical. However, in a mixture of C6D6 and pyridine-d5, the 2-vinyl protons can be distinguished. The structures compare favorably with MM2 calculations.

Corresponding amine nitrile and method of manufacturing thereof

The invention relates to a manufacturing method of nitrile. Compared with the prior art, the manufacturing method has the characteristics of significantly reduced using amount of an ammonia source, low environmental pressure, low energy consumption, low production cost, high purity and yield of a nitrile product and the like, and nitrile with a more complex structure can be obtained. The invention also relates to a method for manufacturing corresponding amine from nitrile.

Fluorous bispidine: A bifunctional reagent for copper-catalyzed oxidation and knoevenagel condensation reactions in water

Fluorous bispidine-type ligands have been developed to facilitate its recovery and reusability and to demonstrate its bifunctional property as a ligand and base in copper-catalyzed aerobic oxidation, the Knoevenagel condensation and tandem oxidation/Knoevenagel condensation in water under mild conditions. Application of the fluorous ligand was also extended to the surfactant-free copper-catalyzed allylic and benzylic sp3 C-H oxidation reaction in water. The fluorous ligands could be recovered using F-SPE with recovery ranging from 91-97% and could be reused five times with little loss of activity.

Preparation of 3-oxocyclohex-1-ene-1-carbonitrile

-