2-OXOCYCLOHEXANECARBONITRILE

Base Information

• Chemical Name: 2-OXOCYCLOHEXANECARBONITRILE
• CAS No.: 4513-77-3
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• Hs Code.: 2926909090
• Mol file: 4513-77-3.mol

Synonyms:2-Cyanocyclohexanone;2-Oxocyclohexane-1-carbonitrile;2-Oxocyclohexanecarbonitrile;NSC 2841;a-Cyanocyclohexanone;

Chemical Property of 2-OXOCYCLOHEXANECARBONITRILE

Chemical Property:

• Vapor Pressure: 0.0067mmHg at 25°C
• Melting Point: 290 °C
• Refractive Index: 1.465
• Boiling Point: 270.8 °C at 760 mmHg
• Flash Point: 117.6 °C
• PSA: 40.86000
• Density: 1.05 g/cm³
• LogP: 1.26928
• Storage Temp.: 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Oxocyclohexanecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-OXOCYCLOHEXANECARBONITRILE

There total 23 articles about 2-OXOCYCLOHEXANECARBONITRILE 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: 92.0%

pimelonitrile (646-20-8) → 2-cyanocyclohexanone (4513-77-3)

Guidance literature:

With sodium hydride; N-methylaniline; In tetrahydrofuran; Inert atmosphere;

DOI:10.1055/s-0028-1083269

Reference yield: 78.0%

1-(1-Cyclohexen-1-yl)pyrrolidine (1125-99-1) + cyanogen chloride (506-77-4) → 2-cyanocyclohexanone (4513-77-3)

Guidance literature:

1-(1-Cyclohexen-1-yl)pyrrolidine; cyanogen chloride; With triethylamine; In toluene; at 4 - 20 ℃; for 21h; Inert atmosphere;

With hydrogenchloride; water; at 20 ℃; for 0.333333h; pH=1 - 2; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.11.076

Reference yield: 78.0%

2-aminocyclohex-1-enecarbonitrile (15595-71-8) → 2-cyanocyclohexanone (4513-77-3)

Guidance literature:

With hydrogenchloride; In ethanol; for 1h; Heating;

upstream raw materials:

2-bromocyclohexanone

sodium cyanide

1,2-epoxy-cyclohexanecarbonitrile

ethanol

Downstream raw materials:

heptanedioic acid

2-propionylcyclohexanone

opt.-inakt. 1-(2-Ethyl-2-hydroxy-cyclohexyl)-propan-1-on

2-butyrylcyclohexanone

Refernces

• 1、 Chip,G.K.,Lynch,T.R.. "-". . p. 2249 - 2254. Retrieved 1974.
• 2、 Li, Xiangdong,Golz, Christopher,Alcarazo, Manuel. "5-(Cyano)dibenzothiophenium Triflate: A Sulfur-Based Reagent for Electrophilic Cyanation and Cyanocyclizations". supporting information. p. 9496 - 9500. Retrieved 2019/06/27.
• 3、 Talavera, Garazi,Pe?a, Javier,Alcarazo, Manuel. "Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents". supporting information. p. 8704 - 8707. Retrieved 2015/07/27.