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α-Curcumene, also known as 2-methyl-2-heptene with a p-tolyl group substitution at position 6, is a sesquiterpene compound found in various plant sources. It possesses unique chemical properties and a distinct molecular structure, making it a versatile compound with potential applications in various industries.

644-30-4

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644-30-4 Usage

Uses

Used in Flavor and Fragrance Industry:
α-Curcumene is used as a flavoring agent and fragrance ingredient due to its pleasant aroma and taste. Its unique chemical structure contributes to the development of new and innovative scents and flavors in the industry.
Used in Pharmaceutical Industry:
α-Curcumene is used as a pharmaceutical compound for its potential therapeutic properties. Its unique molecular structure allows it to interact with various biological targets, making it a promising candidate for the development of new drugs and treatments.
Used in Agrochemical Industry:
α-Curcumene is used as an agrochemical compound for its potential applications in pest control and crop protection. Its unique chemical properties enable it to act as a natural pesticide or repellent, providing an eco-friendly alternative to synthetic chemicals.
Used in Cosmetic Industry:
α-Curcumene is used as a cosmetic ingredient for its potential benefits to skin and hair health. Its unique chemical structure allows it to penetrate and nourish the skin, providing moisturizing and anti-aging effects.

Synthesis Reference(s)

The Journal of Organic Chemistry, 40, p. 3306, 1975 DOI: 10.1021/jo00910a041

Check Digit Verification of cas no

The CAS Registry Mumber 644-30-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,4 and 4 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 644-30:
(5*6)+(4*4)+(3*4)+(2*3)+(1*0)=64
64 % 10 = 4
So 644-30-4 is a valid CAS Registry Number.
InChI:InChI=1/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3

644-30-4SDS

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 α-curcumene

1.2 Other means of identification

Product number -
Other names 1-methyl-4-(6-methylhept-5-en-2-yl)benzene

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:644-30-4 SDS

644-30-4Relevant academic research and scientific papers

Transition-Metal-Free Valorization of Biomass-derived Levulinic Acid Derivatives: Synthesis of Curcumene and Xanthorrhizol

Fu, Yao,Gong, Tian-Jun,Xu, Wen-Yan,Zhuo, Kai-Feng

, p. 884 - 891 (2020/12/13)

Levulinic acid (LA) is acknowledged one of the most promising biomass-derived platform molecules and can be transformed into various value-added chemicals. Here, we report a new reaction process for the valorization of LA derivatives under transition-meta

Stereoselective Csp3?Csp2 Cross-Couplings of Chiral Secondary Alkylzinc Reagents with Alkenyl and Aryl Halides

Skotnitzki, Juri,Kremsmair, Alexander,Keefer, Daniel,Gong, Ye,de Vivie-Riedle, Regina,Knochel, Paul

, p. 320 - 324 (2019/11/26)

We report palladium-catalyzed cross-coupling reactions of chiral secondary non-stabilized dialkylzinc reagents, prepared from readily available chiral secondary alkyl iodides, with alkenyl and aryl halides. This method provides α-chiral alkenes and arenes with very high retention of configuration (dr up to 98:2) and satisfactory overall yields (up to 76 % for 3 reaction steps). The configurational stability of these chiral non-stabilized dialkylzinc reagents was determined and exceeded several hours at 25 °C. DFT calculations were performed to rationalize the stereoretention during the catalytic cycle. Furthermore, the cross-coupling reaction was applied in an efficient total synthesis of the sesquiterpenes (S)- and (R)-curcumene with control of the absolute stereochemistry.

Tandem Peterson olefination and chemoselective asymmetric hydrogenation of β-hydroxy silanes

Krajangsri, Suppachai,Wu, Haibo,Liu, Jianguo,Rabten, Wangchuk,Singh, Thishana,Andersson, Pher G.

, p. 3649 - 3653 (2019/03/28)

Here, we report the first Ir-N,P complex catalyzed tandem Peterson olefination and asymmetric hydrogenation of β-hydroxy silanes. This reaction resulted in the formation of chiral alkanes in high isolated yields (up to 99%) and excellent enantioselectivity (up to 99% ee) under mild conditions. Modification of the reaction conditions provides a choice to transform either an olefin or the β-hydroxy silane in a chemoselective manner. Additionally, based on this method, an expedient enantioselective synthesis of (S)-(+)-α-curcumene, from a simple ketone, was accomplished in two steps with 75% overall yield and 95% ee.

A asymmetric catalytic synthesis (S)- aryl curcumene method

-

, (2017/08/25)

The invention discloses a method for asymmetrically catalyzing and synthesizing (S)-curcumene. According to the method, racemization 2-halogenated propionate ester serves as a starting material, under the catalysis of bis oxazoline/ cobalt, an asymmetrica

Stereospecific Hydrogenolysis of Lactones: Application to the Total Syntheses of (R)-ar-Himachalene and (R)-Curcumene

Spielmann, Kim,De Figueiredo, Renata Marcia,Campagne, Jean-Marc

, p. 4737 - 4743 (2017/05/12)

A straightforward strategy for the syntheses of curcumene and ar-himachalene is reported. Synthetic highlights include a catalytic and asymmetric vinylogous Mukaiyama reaction and a stereospecific hydrogenolysis of a tertiary benzylic center using Pd/C or Ni/Raney catalysts. Notably, using Ni/Raney, the stereoselectivity outcome (inversion vs retention) of the hydrogenolysis depends on the tertiary benzylic alcohol substitution.

Asymmetric synthesis of (R)-ar-curcumene, (R)-4,7-dimethyl-l-tetralone, and their enantiomers via cobalt-catalyzed asymmetric Kumada cross-coupling

Wu, Lin,Zhong, Jiang-Chun,Liu, Shi-Kuo,Liu, Fei-Peng,Gao, Zi-Dong,Wang, Min,Bian, Qing-Hua

, p. 78 - 83 (2015/12/31)

An efficient and concise asymmetric synthesis of (R)-(+)-ar-curcumene, (R)-4,7-dimethyl-l-tetralone, and their enantiomers was accomplished. The key step to construct the stereogenic benzylmethyl centers of these natural products is the cobalt-catalyzed a

A straightforward organocatalytic alkylation of 2-arylacetaldehydes: An approach towards bisabolanes

Gualandi, Andrea,Canestrari, Pietro,Emer, Enrico,Cozzi, Pier Giorgio

, p. 528 - 536 (2014/05/20)

A highly stereoselective organocatalytic aalkylation of 2-arylacetaldehydes with a commercially available carbenium tetrafluoroborate is described. The stereoselective alkylation was carried out in acetonitrile/ water, under air in the presence of a commercially available imidazolidinone (MacMillan's catalyst). Key intermediates for the synthesis of bisabolanes were obtained through a simple chemistry. In particular a direct, enantioselective and facile synthesis of (R)-(-)-curcumene is described.

Carboxy-directed asymmetric hydrogenation of α-alkyl-α-aryl terminal olefins: Highly enantioselective and chemoselective access to a chiral benzylmethyl center

Yang, Shuang,Zhu, Shou-Fei,Guo, Na,Song, Song,Zhou, Qi-Lin

supporting information, p. 2049 - 2052 (2014/03/21)

A carboxy-directed asymmetric hydrogenation of α-alkyl-α-aryl terminal olefins was developed by using a chiral spiro iridium catalyst, providing a highly efficient approach to the compounds with a chiral benzylmethyl center. The carboxy-directed hydrogenation prohibited the isomerization of the terminal olefins, and realized the chemoselective hydrogenation of various dienes. The concise enantioselective syntheses of (S)-curcudiol and (S)-curcumene were achieved by using this catalytic asymmetric hydrogenation as a key step.

Palladium/chiral amine co-catalyzed enantioselective β-arylation of α,β-unsaturated aldehydes

Ibrahem, Ismail,Ma, Guangning,Afewerki, Samson,C?rdova, Armando

, p. 878 - 882 (2013/02/23)

Palladium and a simple chiral amine are used as co-catalysts for the enantioselective conjugate addition of aryl boronic acids to α,β-unsaturated aldehydes (see scheme). The synthetic utility of this co-catalyzed reaction was demonstrated in the short tot

Pyrolytic formation of polycyclic aromatic hydrocarbons from sesquiterpenes

Francis, George W.,Christy, Alfred A.,Oygarden, Jostein

, p. 1316 - 1322 (2012/11/06)

The products of the pyrolysis of four sesquiterpenes, β-caryophyllene, α-cedrene, longifolene and valencene, have been examined. Pyrolysis was carried out at 300, 400 and 500 °C, the products determined by GC-MS and then examined for similarities and diff

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