100-45-8

Basic information

• Product Name: 4-CYANO-1-CYCLOHEXENE
• Synonyms: TIMTEC-BB SBB007998;3-CYCLOHEXENE-1-CARBOXYLIC ACID NITRILE;3-CYCLOHEXENE CARBONITRILE;3-Cyclohexenecyanide;3-CYCLOHEXENE-1-CARBONITRILE;4-CYANOCYCLOHEXENE;4-CYANOCYCLOHEXENE-1;4-CYANO-1-CYCLOHEXENE
• CAS NO: 100-45-8
• Molecular Formula: C₇H₉N
• Molecular Weight: 107.15
• Mol File: 100-45-8.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 60°C 0,7mm
• Flash Point: 65°C
• Appearance: /
• Density: 0,96 g/cm3
• Vapor Pressure: 0.317mmHg at 25°C
• Refractive Index: 1.4720-1.4750
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility: Insoluble in water
• CAS DataBase Reference: 4-CYANO-1-CYCLOHEXENE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CYANO-1-CYCLOHEXENE(100-45-8)
• EPA Substance Registry System: 4-CYANO-1-CYCLOHEXENE(100-45-8)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 3276
• RTECS: GW2625000
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 100-45-8(Hazardous Substances Data)

Usage

General Description

4-Cyano-1-cyclohexene is a chemical compound with the molecular formula C7H9N. It is a clear, colorless liquid at room temperature and exhibits a faint odor. 4-Cyano-1-cyclohexene is used in the production of pharmaceuticals, agrochemicals, and other fine chemicals. It is also utilized as an intermediate in the synthesis of various organic compounds. The compound is known to be an irritant to the eyes, skin, and respiratory system if inhaled or absorbed through the skin. Additionally, it may be harmful if swallowed and can cause adverse effects on aquatic environments. Therefore, appropriate safety measures should be taken when handling and using 4-cyano-1-cyclohexene.

InChI:InChI=1/C7H9N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-5H2

Upstream product

• 106-99-0 buta-1,3-diene 
• 107-13-1 acrylonitrile 
• 1165952-91-9 cyclohexa-1,3-diene 
• 75-86-5 2-hydroxy-2-methylpropanenitrile 
• 100-50-5 3-Cyclohexene-1-carboxaldehyde 
• 57606-87-8 3-cyclohexene-1-carboxaldehyde oxime 

Downstream Products

• 58474-90-1 1-(2,2-Diethoxy-ethyl)-cyclohex-3-enecarbonitrile 
• 111-16-0 heptanedioic acid 
• 4771-80-6 1,2,5,6-tetrahydrobenzoic acid 
• 469862-24-6 3-(cyclohex-3-enyl)-6-phenyl-2H,5H-pyrrolo[3,4-c]pyrrole-1,4-dione 
• 362603-58-5 3-thiabis(4-chlorocyclohexanecarboxylic) acid 
• 100-47-0 benzonitrile 
• 1416149-30-8 1-(3-iodopyridin-4-yl)cyclohex-3-enecarbonitrile 
• 1381967-70-9 dimethyl 3-(3-cyclohexenyl)-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6,6-dicarboxylate 
• 34916-10-4 4-cyanocyclohexanone 
• 17983-30-1 (RS)-3-oxocyclohexanecarbonitrile 
• 15095-86-0 (CH₃)3SnC₆H₁₀(CN) 
• 58475-00-6 4-(2,2-Diethoxy-ethyl)-cyclohexene 
• 54385-09-0 N-Chlor-N-<(3-cyclohexen-1-yl)methyl>acetamid 
• 84024-47-5 (1R*,3S*,4R*,7S*)-1-(trans-3,trans-4-dihydroxycyclohexyl)-1-phenyl-3-(1-pyrrolidinyl)-1-propanol 

Relevant articles and documents

Binaphthol-based diphosphite ligands in asymmetric nickel-catalyzed hydrocyanation of styrene and 1,3-cyclohexadiene: Influence of steric properties

A series of chiral (R)-binaphthol-based diphosphite ligands with different substituents was prepared and applied in the asymmetric nickel-catalyzed hydrocyanation of styrene and 1,3-cyclohexadiene to investigate the influence of their steric properties. The optimum steric properties for the hydrocyanation reaction lie within a narrow window. With the optimized ligand, hydrocyanation of styrene gave full conversion (Subs/Ni = 100) with 49% ee, the TON was determined to be 600. Hydrocyanation of 1,3-cyclohexadiene gave 50% conversion (Subs/Ni = 500) with an excellent ee of 86 %. This demonstrates that high ees are not only accessible for vinylarenes but also for conjugated dienes in the asymmetric nickelcatalyzed hydrocyanation.

NEW LEWIS ACID CATALYSTS FOR THE DIELS-ALDER REACTION

Catechol boron bromide (1) and ferrocenium hexafluorophosphate (2) function as Lewis acid catalysts for the Diels-Alder reaction.

OXIDATIVE CONVERSION OF ALIPHATIC ALDEHYDES TO NITRILES USING OXOAMMONIUM SALT

The present invention relates to an oxidative transformation method of aliphatic benzaldehydes to nitriles using NH_4OAc through oxoammonium salts. By using stoichiometric amounts of oxoammonium salts to establish optimal reaction conditions associated with the oxidative conversion of aliphatic benzaldehydes to nitriles, high yields of nitrile can be selectively obtained, and the oxoammonium salts used can be oxidized and reused in a simple method.COPYRIGHT KIPO 2020

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.