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3-(4-methylphenyl)cyclohex-2-en-1-one is an organic compound characterized by a cyclohexenone ring structure, which features a six-membered carbon ring with one double bond and a ketone functional group. The compound is further distinguished by the presence of a 4-methylphenyl group attached to the cyclohexenone ring. This aromatic group contributes to the compound's chemical properties and reactivity. The compound is likely to be used in the synthesis of various pharmaceuticals, fragrances, or other organic compounds due to its unique structure and functional groups. It is important to note that the handling and use of 3-(4-methylphenyl)cyclohex-2-en-1-one should be done with proper safety measures, as many organic compounds with such structures can have specific health and environmental considerations.

6330-12-7

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6330-12-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6330-12-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,3,3 and 0 respectively; the second part has 2 digits, 1 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 6330-12:
(6*6)+(5*3)+(4*3)+(3*0)+(2*1)+(1*2)=67
67 % 10 = 7
So 6330-12-7 is a valid CAS Registry Number.

6330-12-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(4-methylphenyl)cyclohex-2-en-1-one

1.2 Other means of identification

Product number -
Other names -

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

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More Details:6330-12-7 SDS

6330-12-7Relevant academic research and scientific papers

Heck-Type Arylation of 2-Cycloalken-1-ones with Arylpalladium Intermediates Formed by Decarboxylative Palladation and by Aryl Iodide Insertion

Tanaka, Daisuke,Myers, Andrew G.

, p. 433 - 436 (2004)

(Matrix presented) A palladium-catalyzed decarboxylative arylation reaction was shown to produce Heck-type coupling products using a number of different arene carboxylic acid and 2-cycloalken-1-one substrates. The more conventional Heck coupling of an aryl iodide and a 2-cycloalken-1-one reactant was also briefly explored for comparison, where it was found that phosphine-free (Jeffery) conditions afforded the highest yield of product.

Copper-Catalyzed Enantioselective 1,2-Reduction of Cycloalkenones

Shi, Yongjie,Wang, Jingxin,Yin, Qin,Zhang, Xumu,Chiu, Pauline

supporting information, p. 5658 - 5663 (2021/08/01)

We report an asymmetric 1,2-reduction of cyclic α,β-unsaturated ketones to access various enantiomerically enriched cyclic allylic alcohols under mild conditions, catalyzed by in situ generated copper hydride ligated with (R)-DTBM-C3*-TunePhos. α-Brominated cycloalkenones were reduced with excellent enantioselectivities of up to 98% ee, while substrates that were without α-substituents were reduced chemoselectively, with moderate enantioselectivities.

Catalytic enantioselective total synthesis of (?)-ar-Tenuifolene

Shaw, Kundan,Niyogi, Sovan,Bisai, Vishnumaya

supporting information, (2020/03/23)

First catalytic asymmetric total synthesis of aromatic sesquiterpene, (?)-ar-teunifolene (1) is featured (3 steps, 75% overall yields) from commercially available 3-methyl cyclohex-2-enone 16. The enantioenriched 3,3-disubstituted cyclohexanone 11 is obtained from Pd(II)-catalyzed enantioselective (p-tolyl)boronic acid addition to 3-methyl cyclohex-2-enone 16 in 90% ee, which is found to be the key intermediate. A diastereoselective methyllithium addition of this enantioenriched product followed by dehydration completes straightforward access to (?)-ar-teunifolene (1).

Synthesis of chiral seven-membered β-substituted lactams: Via Rh-catalyzed asymmetric hydrogenation

Huang, Yi,Li, Pan,Dong, Xiu-Qin,Zhang, Xumu

supporting information, p. 8819 - 8823 (2018/11/30)

Rh/bisphosphine-thiourea ligand (ZhaoPhos)-catalyzed asymmetric hydrogenation of seven-membered β-substituted α,β-unsaturated lactams was successfully developed to prepare various chiral seven-membered β-substituted lactams with good to excellent results (up to >99% conversion, 99% yield, and >99% ee).

An Electrophilic Trifluoromethylthiolation of Silylenol Ethers and β-Naphthols with Diethylaminosulfur Trifluoride and (Trifluoromethyl)trimethylsilane

Saravanan, Perumal,Anbarasan, Pazhamalai

supporting information, p. 2894 - 2899 (2018/08/17)

An efficient and general trifluoromethylthiolation of silylenol ethers and β-naphthols have been accomplished employing the combination of diethylaminosulfur trifluoride (DAST) and (trifluoromethyl)trimethylsilane (CF3TMS) as source of electrophilic trifluoromethylthio moiety for the synthesis of α-trifluoromethylthiolated carbonyl compounds and β-naphthols in good yields. Important features of this method include wide functional group tolerance and use of readily available DAST/CF3TMS. Potential of the methodology was demonstrated via the synthesis of α-trifluoromethylthiolated (+)-4-cholesten-3-one and naphthoquinone. (Figure presented.).

A highly efficient metal-free approach to: Meta - And multiple-substituted phenols via a simple oxidation of cyclohexenones

Liang, Yu-Feng,Song, Song,Ai, Lingsheng,Li, Xinwei,Jiao, Ning

supporting information, p. 6462 - 6467 (2018/06/08)

A novel and efficient metal-free approach to substituted phenols has been disclosed from simple and readily available cyclohexenones and cyclohexenone equivalents. Dimethyl sulfoxide (DMSO), a simple and common organic reagent, was employed as a mild oxidant in this I2-catalysis, which significantly tolerates various substituents including some easily oxidizable or reducible functionalities. The challenging meta- and multiple-substituted phenols could be well prepared by this method. The metal-free and mild oxidation make this protocol very simple, practical, and easy to handle.

Copper/Selectfluor-System-Catalyzed Dehydration-Oxidation of Tertiary Cycloalcohols: Access to β-Substituted Cyclohex-2-enones, 4-Arylcoumarins, and Biaryls

Ren, Shaobo,Zhang, Jian,Zhang, Jiahui,Wang, Heng,Zhang, Wei,Liu, Yunkui,Liu, Miaochang

supporting information, p. 5381 - 5388 (2015/08/24)

A route to β-substituted cyclohex-2-enones, 4-arylcoumarins, and biaryls has been developed. This approach involves a one-pot Cu0/Selectfluor-catalyzed dehydration-oxidation of tertiary cycloalcohols. Thus, by using 2 equiv. of Selectfluor at 25 C, the dehydration-oxidation of tertiary cyclohexanols and oxabenzocyclohexanols gave β-substituted cyclohex-2-enones and 4-arylcoumarins, respectively; whereas the dehydration-oxidation of tertiary cyclohexanols gave biaryls as the final products by using 2.5 equiv. of Selectfluor at 80 C. A route to β-substituted cyclohex-2-enones, 4-arylcoumarins, and biaryls has been developed. This approach involves a one-pot Cu0/Selectfluor-catalyzed dehydration-oxidation of tertiary cycloalcohols.

Continuous-Flow Synthesis of meta-Substituted Phenol Derivatives

Park, Jeong Hyeon,Park, Chan Yi,Kim, Mi Jin,Kim, Min Uk,Kim, Young Joon,Kim, Geon-Hee,Park, Chan Pil

supporting information, p. 812 - 818 (2015/07/27)

Two complementary microreactor technologies were developed for the study of biphasic gas-liquid reactions and preparation of meta-substituted phenol derivatives. The first capillary microreactor, composed of a T-junction and simple capillary, enabled oxidative Heck/dehydrogenation on a microgram scale with a shortened reaction time; the total sequence time for oxidative Heck/dehydrogenation reactions was optimized from 2160 min in a traditional batch system to 130 min in the microchemical system. The second tube-in-tube microreactor, composed of a gas-permeable inner tube and gas-nonpermeable outer tube, successfully performed a gram-scale synthesis under the optimized safety and economic conditions which were established from the first microgram-scale study. The two microreactors have great potential for exploring reactions involving gaseous and liquid reagents.

Isopropylmagnesium chloride-promoted unilateral addition of Grignard reagents to β-diketones: One-pot syntheses of β-tertiary hydroxyl ketones or 3-substituted cyclic-2-enones

Yuan, Rui,Zhao, Dan,Zhang, Li-Yuan,Pan, Xiang,Yang, Yan,Wang, Pei,Li, Hong-Feng,Da, Chao-Shan

supporting information, p. 724 - 728 (2016/01/12)

The regioselective unilateral additions of Grignard reagents to acyclic or cyclic β-diketones were effectively promoted by sub-stoichiometric amounts of i-PrMgCl to afford β-tertiary hydroxyl ketones or 3-substituted cyclic-2-enones, respectively. Also, the addition of Grignard reagents to acyclic β-diketones followed by a reaction with cyclic β-diketones in a one-pot process was put forward. The reaction mechanism was discussed in detail to explain the high regioselectivity via chemical experiments, hydrogen-deuterium exchange and mass spectrometry.

Palladium-catalyzed oxidative rearrangement of tertiary allylic alcohols to enones with oxygen in aqueous solvent

Li, Jingjie,Tan, Ceheng,Gong, Jianxian,Yang, Zhen

supporting information, p. 5370 - 5373 (2015/01/09)

A one-pot procedure for Pd(TFA)2-catalyzed 1,3-isomerization of tertiary allylic alcohols to secondary allylic alcohols followed by a Pd(TFA)2/neocuproine-catalyzed oxidative reaction to β-disubstituted-α,β-unsaturated kenones was developed. (Chemical Equation Presented).

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