2-Oxo-cycloheptanecarbonitrile

Base Information

• Chemical Name: 2-Oxo-cycloheptanecarbonitrile
• CAS No.: 7391-45-9
• Molecular Formula: C8H11NO
• Molecular Weight: 137.17900
• Hs Code.: 2926909090
• Mol file: 7391-45-9.mol

Synonyms:Cycloheptanecarbonitrile,2-oxo;2-cyanocycloheptanone;2-oxo-1-cycloheptanecarbonitrile;(+-)-2-Oxo-cycloheptan-carbonsaeure-(1)-nitril;2-Oxo-cycloheptancarbonitril;2-oxo-cycloheptanecarbonitrile;

Chemical Property of 2-Oxo-cycloheptanecarbonitrile

Chemical Property:

• PSA: 40.86000
• LogP: 1.65938

Purity/Quality:

95% ^*data from raw suppliers

2-Oxocycloheptanecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Oxo-cycloheptanecarbonitrile

There total 10 articles about 2-Oxo-cycloheptanecarbonitrile 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: 70.0%

N-cyano-N-phenyl-p-toluenesulfonamide (55305-43-6) + cycloheptanone (502-42-1) → 2-oxocycloheptanecarbonitrile (7391-45-9)

Guidance literature:

cycloheptanone; With N-ethyl-N,N-diisopropylamine; 9-iodo-9-borabicyclo{3.3.1}nonane; In 1,2-dimethoxyethane; hexane; at 0 - 20 ℃; for 1h; Inert atmosphere;

N-cyano-N-phenyl-p-toluenesulfonamide; In 1,2-dimethoxyethane; hexane; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1002/anie.201605445

Reference yield: 24.0%

octanedinitrile (629-40-3) → 2-oxocycloheptanecarbonitrile (7391-45-9)

Guidance literature:

octanedinitrile; With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; Heating / reflux;

With sulfuric acid; In tetrahydrofuran; water; at 20 ℃;

Reference yield:

α-Cyan-cycloheptanon-imid (90196-80-8) → 2-oxocycloheptanecarbonitrile (7391-45-9)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; at 0 ℃; pH=2;

DOI:10.1016/S0040-4020(03)00034-6

upstream raw materials:

1-pyrrolidino-1-cycloheptene

cyanogen chloride

2-formylcycloheptanone

octanedinitrile

Downstream raw materials:

C₁₉H₂₈N₂O₃S

N-(2-(1-cyano-2-oxocycloheptyl)ethyl)mesityl sulfonamide

Refernces

• 1、 Jia, Zhiyu,Gálvez, Erik,Sebastián, Rosa María,Pleixats, Roser,álvarez-Larena, ángel,Martin, Eddy,Vallribera, Adelina,Shafir, Alexandr. "An Alternative to the Classical α-Arylation: The Transfer of an Intact 2-Iodoaryl from ArI(O2CCF3)2". . p. 11298 - 11301. Retrieved 2016/02/19.
• 2、 Liu, Hsing-Jang,Ly, Tai Wei,Tai, Chia-Liang,Wu, Jen-Dar,Liang, Jinn-Kwei,Guo, Jiunn-Cheh,Tseng, Nai-Wen,Shia, Kak-Shan. "A modified Robinson annulation process to α,α-disubstituted-β,γ-unsaturated cyclohexanone system. Application to the total synthesis of nanaimoal". . p. 1209 - 1226. Retrieved 2007/10/03.