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4594-78-9

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4594-78-9 Usage

Chemical Properties

clear yellow to brown liquid

Uses

2-(2-Cyanethyl)cyclohexanone may be used in the synthesis of 4-keto-nona-1,9-dioic acid by reacting with hydrogen peroxide.

Synthesis Reference(s)

Tetrahedron, 22, p. 2059, 1966 DOI: 10.1016/S0040-4020(01)82125-6

General Description

2-(2-Cyanethyl)cyclohexanone, also known as 3-(2-oxocyclohexyl)propionitrile, is an α-substituted cyclohexanone. It reacts with BrF3(bromine trifluoride) to form the corresponding oxadecaline.

Check Digit Verification of cas no

The CAS Registry Mumber 4594-78-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,5,9 and 4 respectively; the second part has 2 digits, 7 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 4594-78:
(6*4)+(5*5)+(4*9)+(3*4)+(2*7)+(1*8)=119
119 % 10 = 9
So 4594-78-9 is a valid CAS Registry Number.
InChI:InChI=1/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h8H,1-6H2/t8-/m0/s1

4594-78-9 Well-known Company Product Price

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  • Alfa Aesar

  • (H50722)  2-Oxocyclohexanepropionitrile, 99%   

  • 4594-78-9

  • 1g

  • 410.0CNY

  • Detail
  • Alfa Aesar

  • (H50722)  2-Oxocyclohexanepropionitrile, 99%   

  • 4594-78-9

  • 5g

  • 1950.0CNY

  • Detail

4594-78-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(BETA-CYANOETHYL)CYCLOHEXANONE

1.2 Other means of identification

Product number -
Other names 2-Oxocyclohexane-2-propionitrile,3-(2-Oxocyclohexyl)propionitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:4594-78-9 SDS

4594-78-9Relevant articles and documents

Method for preparing chiral nitrogen-phosphorus ligand L-8 containing pyridocyclopentane

-

Paragraph 0008; 0036-0040, (2021/03/23)

The invention discloses a method for preparing chiral nitrogen-phosphorus ligand L-8 containing pyridocyclopentane, and belongs to the technical field of medical intermediate chiral ligands. The chiral nitrogen-phosphorus L-8 ligand is prepared from cyclopentanone through the steps of addition, cyclization, chlorination, asymmetric boronation, oxidation, coupling, esterification and the like in sequence, large-scale preparation is relatively easy to achieve through the route, and the defect that in a traditional route, the yield is low in the first step of ring closing reaction and chiral alcohol preparation is overcome, and by selecting a proper chiral ligand, and combining with butyl lithium, asymmetric synthesis of chiral alcohol is realized, and a chiral separation column mode adoptedin literature is avoided.

Ytterbium-Catalyzed Intramolecular [3 + 2] Cycloaddition based on Furan Dearomatization to Construct Fused Triazoles

Xu, Xiaoming,Zhong, Ying,Xing, Qingzhao,Gao, Ziwei,Gou, Jing,Yu, Binxun

supporting information, p. 5176 - 5181 (2020/07/14)

The 1,2,3-triazole-containing polycyclic architecture widely exists in a broad spectrum of synthetic bioactive molecules, and the development of expeditious methods to synthesize these skeletons remains a challenging task. In this work, the catalytic cyclization of biomass-derived 2-furylcarbinols with an azide to form fused triazoles is described. This approach takes advantage of a single catalyst Yb(OTf)3 and operates via a furfuryl-cation-induced intramolecular [3 + 2] cycloaddition/furan ring-opening cascade.

Palladium-Catalyzed Aerobic Oxidative Cyclization of Aliphatic Alkenyl Amides for the Construction of Pyrrolizidine and Indolizidine Derivatives

Lo, Kai-Yip,Ye, Liu,Yang, Dan

supporting information, p. 1570 - 1575 (2017/08/11)

An efficient palladium-catalyzed aerobic oxidative cyclization has been developed to synthesize a variety of pyrrolizidine and indolizidine derivatives from simple aliphatic alkenyl amides in moderate to good yields. The reaction features the capability of accessing various N-heterocycles and the use of molecular oxygen (1 atm) as the green oxidant.

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