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Cyclohexanecarboxylic acid, 2-oxo-1-(2-propenyl)-, methyl ester is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

113541-80-3

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113541-80-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 113541-80-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,3,5,4 and 1 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 113541-80:
(8*1)+(7*1)+(6*3)+(5*5)+(4*4)+(3*1)+(2*8)+(1*0)=93
93 % 10 = 3
So 113541-80-3 is a valid CAS Registry Number.

113541-80-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2-oxo-1-prop-2-enylcyclohexane-1-carboxylate

1.2 Other means of identification

Product number -
Other names Cyclohexanecarboxylic acid,2-oxo-1-(2-propenyl)-,methyl 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:113541-80-3 SDS

113541-80-3Relevant academic research and scientific papers

A new tetratertiary phosphine ligand and its use in Pd-catalyzed allylic substitution

Laurenti,Feuerstein,Pepe,Doucet,Santelli

, p. 1633 - 1637 (2001)

A new tetraphosphine, the cis-cis-cis-1,2,3,4-tetrakis(diphenylphosphinomethyl)cyclopentane (Tedicyp) 1 has been synthesized, characterized, and used in Pd-catalyzed allylic substitutions. The Tedicyp was easily prepared in seven steps from the commercially available himic anhydride. The structure of the complex Tedicyp-borane was determined by X-ray analysis. The tetraphosphine in combination with [Pd(η3-C3H5)Cl]2 affords a very efficient catalyst for allylic substitution of several allylic acetates. Under mild conditions, very high turnover numbers and turnover frequencies have been obtained.

Alkylation of Active Methylene compounds by Allylic Alcohols using Tetrakis(triphenylphosphine)palladium(0) Catalysts

Bergbreiter, David E.,Weatherford, David A.

, p. 883 - 884 (1989)

We have found that active methylene compounds can be alkylated by allylic alcohols using (PPh3)4Pd as a catalyst at 100 deg C without prior activation of the allylic hydroxy group.

Atroposelective Synthesis of Axially Chiral N-Arylpyrroles by Chiral-at-Rhodium Catalysis

Chen, Shuming,Han, Feng,Houk, K. N.,Ivlev, Sergei,Meggers, Eric,Xie, Xiulan,Ye, Chen-Xi

supporting information, p. 13552 - 13556 (2020/06/05)

A transformation of fluxional into configurationally stable axially chiral N-arylpyrroles was achieved with a highly atroposelective electrophilic aromatic substitution catalyzed by a chiral-at-metal rhodium Lewis acid. Specifically, N-arylpyrroles were alkylated with N-acryloyl-1H-pyrazole electrophiles in up to 93 percent yield and with up to >99.5 percent ee, and follow-up conversions reveal the synthetic utility of this new method. DFT calculations elucidate the origins of the observed excellent atroposelectivity.

Enantioselective Palladium-Catalyzed Decarboxylative Allylation of β-Keto Esters Assisted by a Thiourea

Qian, Hua,Gu, Guoxian,Zhou, Qinghai,Lu, Jiaxiang,Chung, Lung Wa,Zhang, Xumu

, p. 51 - 56 (2017/10/06)

Enantioselective intramolecular decarboxylative allylation of β-keto esters catalyzed by a palladium bis(phosphine)-thiourea complex is reported. This procedure is not only effective for β-keto esters, but also effective for β-keto amides. An intermolecular variant of the asymmetric decarboxylative allylation is also established. DFT calculations indicate that an outer-sphere mechanism is viable for the decarboxylative allylation of β-keto esters.

Ring expansion of cyclic β-amino alcohols induced by diethylaminosulfur trifluoride: Synthesis of cyclic amines with a tertiary fluorine at C3

Anxionnat, Bruno,Robert, Benoit,George, Pascal,Ricci, Gino,Perrin, Marc-Antoine,Gomez Pardo, Domingo,Cossy, Janine

experimental part, p. 6087 - 6099 (2012/09/11)

As the replacement of a hydrogen atom by a fluorine atom in a compound can have an important impact on its biological properties, the development of methods allowing the introduction of a fluorine atom is of great importance. The scope and limitations of

Solvent-controlled highly selective bis-and monoallylation of active methylene compounds by allyl acetate with palladium(0) nanoparticle

Ranu, Brindaban C.,Chattopadhyay, Kalicharan,Adak, Laksmikanta

, p. 4595 - 4598 (2008/03/12)

(Chemical Equation Presented) Palladium(0) nanoparticle has been used as an efficient catalyst for the allylation of active methylene compounds. Very efficient bisallylation is achieved for a variety of active methylene compounds by allyl acetate and its derivatives in one stroke in THF solvent. The reaction in water provides monoallylated product selectively by allyl acetate only. The recovered Pd(0) nanoparticle is recycled. A probable mechanism is suggested.

Studies on diastereoselective reduction of cyclic β-ketoesters with boron hydrides. Part 4: The reductive profile of functionalized cyclohexanone derivatives

Fraga, Carlos A.M.,Teixeira, Lis Helena P.,Menezes, Carla Maria De S.,Sant'Anna, Carlos Mauricio R.,Ramos, Maria Da Concei??o K.V.,De Aquino Neto, Francisco R.,Barreiro, Eliezer J.

, p. 2745 - 2755 (2007/10/03)

Reduction of 2-allyl-2-carboalkoxycyclohexanones (3d-f), 2-propyl-2-carboethoxycyclohexanone (3g) and 2-benzyl-2- carboethoxycyclohexanone (3h) with boron hydrides in the presence and absence of several chelating agents were studied. Molecular modeling studies using semiempirical PM3 method were performed in order to find a suitable explanation of the diastereoselection of ketone carbonyl faces during the reductive process, which yielded trans-2-allyl-2-carboethoxycyclohexanol (6e) and cis-2-allyl-2-carboethoxycyclohexanol (7e) in good diastereomeric excess by using inexpensive sodium and tetrabutylammonium borohydrides.

Ring-closing metathesis/fragmentation route to geometrically defined medium-ring cycloalkenes: Total synthesis of (±)-periplanone C

Ivkovic, Aleksandar,Matovic, Radomir,Saicic, Radomir N.

, p. 1221 - 1224 (2007/10/03)

The combination of alkene metathesis and β-fragmentation offers an efficient entry into (Z)-configured medium-ring cycloalkenes. The versatility of this method is demonstrated by the total synthesis of Periplanone C, a semiochemical of Periplaneta america

Enzyme-mediated enantioface-differentiating hydrolysis of α-substituted cycloalkanone enol esters

Matsumoto, Kazutsugu,Tsutsumi, Seiji,Ihori, Tamiko,Ohta, Hiromichi

, p. 9614 - 9619 (2007/10/02)

A new type of enzymatic hydrolysis, enantioface-differentiating hydrolysis of enol esters, is disclosed. As a result of screening, Pichia miso IAM 4682, a type of yeast, was selected as the best strain to perform the enantioselective hydrolysis of enol esters to give α-chiral ketones. For example, incubation of 1-acetoxy-2-methylcyclohexene (4a) with P. miso afforded (S)-2-methylcyclohexanone (5) in high optical yield. This enzymatic hydrolysis is applicable to various α-substituted cycloalkanone enol esters, and thereby chiral six-, eight-, ten-, and twelve-membered-ring ketones of 70-96% enantiomeric excess (ee) are easily prepared.

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