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4095-02-7

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4095-02-7 Usage

Uses

2-Oxocyclohexanepropanoic Acid Ethyl Ester is an intermediate in the synthesis of Hexahydrocoumarin (H293905), a derivative of Coumarin (C755380) that is used as a fragrance ingredient.

Synthesis Reference(s)

Tetrahedron, 20, p. 1737, 1964 DOI: 10.1016/S0040-4020(01)99175-6

Check Digit Verification of cas no

The CAS Registry Mumber 4095-02-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,0,9 and 5 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 4095-02:
(6*4)+(5*0)+(4*9)+(3*5)+(2*0)+(1*2)=77
77 % 10 = 7
So 4095-02-7 is a valid CAS Registry Number.
InChI:InChI=1/C11H18O3/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h9H,2-8H2,1H3

4095-02-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 3-(2-oxocyclohexyl)propanoate

1.2 Other means of identification

Product number -
Other names Cyclohexanepropanoic acid,2-oxo-,ethyl ester

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:4095-02-7 SDS

4095-02-7Relevant articles and documents

(±)-2-oxocyclohexanepropionic acid: Dual conformational selection and hydrogen bonding in a δ-keto acid, and a two-phase technique for crystallizing acids by contact with aqueous solutions of their salts

Lalancette, Roger A.,Thompson, Hugh W.

, p. o638-o640 (2003)

The asymmetric unit of the title compound, C9H14O3, consists of two molecules having conformations that differ by 121.7 (4)° in their rotation about the equatorial substituent bond, so that the side chain extends away from

Microwave promoted regeneration of carbonyl compounds from oximes using N, N-dichloro poly(styrene-co-divinylbenzene)sulphonamide resin

Beldar,Sharma, Mamta

experimental part, p. 288 - 292 (2012/02/01)

An efficient, economically viable and operationally simple method was developed for deoximation of oximes (of ketones and aldehydes) to their corresponding carbonyl compounds using polymer beads of N, N-dichloro poly(styrene-co-divinylbenzene)sulphonamide resin. Polymeric reagent offered speedy conversion and substantial yields of products under mild condition and is recyclable. Deoximation was monitored by the use of 13C NMR.

Total synthesis of the marine alkaloid (±)-lepadiformine via a radical carboazidation

Schaer, Pascal,Renaud, Philippe

, p. 1569 - 1571 (2007/10/03)

The total synthesis of lepadiformine has been achieved in 10 steps and 15% overall yield from cyclohexanone. The amino-substituted quaternary carbon center is created through a radical carboazidation reaction. The tricyclic core of lepadiformine is built via an efficient hydrogenation process, involving reduction of the azide and intramolecular reductive amination of a ketone, followed by lactamization of the intermediate γ-aminoester. The hydroxymethyl side chain is introduced according to a modified Takahata procedure after conversion of the lactam into a thiolactam.

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