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(1S-cis)-2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl acetate is a complex chemical compound that belongs to the class of acetate esters. It is characterized by a distinct fruity odor and is known for its unique chemical structure, which includes a cyclohexenyl group, a methyl group, and a vinyl group. These structural features contribute to its versatile applications across different industries.

76704-28-4

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76704-28-4 Usage

Uses

Used in Perfume and Flavoring Industry:
(1S-cis)-2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl acetate is used as a fragrance ingredient and flavor enhancer due to its pleasant and fruity aroma. Its distinct scent makes it a valuable addition to perfumes, while its ability to enhance flavors makes it suitable for use in the food industry.
Used in Cosmetic Industry:
In the cosmetic industry, (1S-cis)-2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl acetate is used as a scent component in various cosmetic products. Its appealing aroma adds to the sensory experience of these products, making them more attractive to consumers.
Used in Organic Synthesis:
(1S-cis)-2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl acetate also has potential applications in organic synthesis. Its unique structure allows it to serve as a valuable intermediate in the synthesis of other complex organic compounds.
Used as a Chiral Building Block in Pharmaceutical and Agrochemical Industries:
Furthermore, (1S-cis)-2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl acetate is utilized as a chiral building block in the development of pharmaceuticals and agrochemicals. Its specific stereochemistry makes it a useful component in the synthesis of enantiomerically pure compounds, which are essential in these industries for their biological activity and selectivity.

Check Digit Verification of cas no

The CAS Registry Mumber 76704-28-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,6,7,0 and 4 respectively; the second part has 2 digits, 2 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 76704-28:
(7*7)+(6*6)+(5*7)+(4*0)+(3*4)+(2*2)+(1*8)=144
144 % 10 = 4
So 76704-28-4 is a valid CAS Registry Number.

76704-28-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name (4S,6S)-6-Acetoxy-4-isopropenyl-1-methylcyclohexene

1.2 Other means of identification

Product number -
Other names (+)-cis-carveyl acetate

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:76704-28-4 SDS

76704-28-4Relevant academic research and scientific papers

A further step to sustainable palladium catalyzed oxidation: Allylic oxidation of alkenes in green solvents

dos Santos Costa, Maíra,de Camargo Faria, Amanda,Mota, Rayssa L.V.,Gusevskaya, Elena V.

, (2021/09/14)

The palladium catalyzed oxidation of alkenes with molecular oxygen is a synthetically important reaction which employs palladium catalysts in solution; therefore, a solvent plays a critical role for the process. In this study, we have tested several green solvents as a reaction medium for the allylic oxidation of a series of alkenes. Dimethylcarbonate, methyl isobutyl ketone, and propylene carbonate, solvents with impressive sustainability ranks and very scarcely exploited in palladium catalyzed oxidations, were proved to be excellent alternatives for the solvents conventionally employed in these processes, such as acetic acid. Palladium acetate alone or in the combination with p-benzoquinone efficiently operates as the catalyst for the oxidation of alkenes by dioxygen under 5–10 atm. For most substrates, the systems in green solvents showed better selectivity for allylic oxidation products as compared to pure acetic acid; moreover, the reactions in propylene carbonate solutions occurred even faster than in acetic acid.

Formyloxyacetoxyphenylmethane and 1,1-diacylals as versatile O-formylating and O-acylating reagents for alcohols

Chapman, Robert S.L.,Francis, Molly,Lawrence, Ruth,Tibbetts, Joshua D.,Bull, Steven D.

, p. 6442 - 6452 (2018/10/02)

Formyloxyacetoxyphenylmethane, symmetric 1,1-diacylals and mixed 1-pivaloxy-1-acyloxy-1-phenylmethanes have been used as moisture stable O-formylating and O-acylating reagents for primary and secondary alcohols, allylic alcohols and phenols under solvent/catalyst free conditions to afford their corresponding esters in good yield.

Enantiomeric differentiation of oxygenated p-menthane derivatives by 13C NMR using Yb(hfc)3

Lanfranchi, Don Antoine,Blanc, Marie-Cecile,Vellutini, Muriel,Bradesi, Pascale,Casanova, Joseph,Tomi, Felix

experimental part, p. 1188 - 1194 (2009/05/26)

The 13C NMR behaviour of 21 p-menthanic terpene bearing an oxygenated function (alcohol, ketone, acetate) was examined in the presence of a chiral lanthanide shift reagent (Yb(hfc)3). For each monocyclic compound, we measured the lanthanide-induced shift (LIS) on the signals of the carbons and the splitting of signals allowing the enantiomeric differentiation. Some general features were found about their LIS behaviour: experimental data establishing distinct patterns for carvomenthone-like compounds and menthone-like compounds. The enantiomeric splitting was observed for the majority of signals in the spectrum of each compound. In the case of alcohols and acetates, the influence of the relative stereochemistry (cis vs trans) of isopropyl(ene) and the binding function was discussed. Copyright

Reactions of epoxides prepared from some monoterpenes with acetic anhydride on aluminosilicate catalysts

Tatarova,Korchagina,Volcho,Salakhutdinov,Barkhash

, p. 1076 - 1082 (2007/10/03)

Reactions of epoxides prepared from α-, β-pinenes and camphene with acetic anhydride on aluminosilicate catalysts (clay K-10, zeolite β) were investigated affording various products of skeleton rearrangements: mono- and diacetates with five- and six-membered rings, and also with norbornane and pinane cores.

First enantioselective total synthesis of (-)-13-hydroxyneocembrene

Liu, Zuosheng,Zhang, Tao,Li, Yulin

, p. 275 - 277 (2007/10/03)

The first enantioselective total synthesis of (-)-13-hydroxyneocembrene (1), a naturally occurring cembranoids isolated from soft coral Sarcophyton trocheliophorum, was achieved via a general approach by employing intramolecular McMurry coupling as a key step from (S)-(+)-carvone.

First total synthesis and absolute configuration of (-)-13-hydroxy-11,12-epoxy-neocembrene

Zhang,Liu,Li

, p. 393 - 398 (2007/10/03)

The first enantioselective total synthesis of (-)-13-hydroxy-11,12-epoxy-neocembrene (1), a naturally occurring cembranoid isolated from soft coral Sarcophyton trocheliophorum, was achieved via a general approach by employing intramolecular McMurry coupling as a key step from (S)-(+)-carvone. The absolute configuration of the epoxide function of 1 is concluded as (11S, 12S).

Reaction of cyclic allylic acetates with aliphatic alcohols in the presence of cerium(III) chloride

Uzarewicz,Dresler

, p. 1921 - 1930 (2007/10/03)

The reactions of selected allylic acetates with methanol, ethanol, n-propyl alcohol, isopropyl alcohol and tert-butyl alcohol in the presence of catalytic amounts of cerium(III) chloride are described. Allylic alkyl ethers, bis-allylic ethers and 1,3-dienes were obtained depending on the structure of the acetates.

SYNTHESIS OF α-AMINO ACIDS USING TRANSITION METAL CATALYSIS - ALKYLATION OF SCHIFF BASES DERIVED FROM α-AMINO ACID ESTERS (REGIO, STEREO-SELECTIVITY)

Genet, J.-P.,Juge, S.,Achi, S.,Mallart, S.,Montes, Ruiz J.,Levif, G.

, p. 5263 - 5276 (2007/10/02)

A general approach to the synthesis of γ,δ-unsaturated α-amino acid esters is described.Schiff bases derived from glycine and alanine esters were alkylated in the presence of palladium or molybdenium catalysts under neutral or basic conditions using allylic carbonates, esters or halides, (20-95 percent yield).These less stabilized nucleophiles reacted with the η3 allyl species on the side opposite to the palladium and they can be classified as soft nucleophiles.The regioselectivity was studied with various unsymmetrical electrophiles.After hydrolysis, several functionalized α-amino acids of biological interest (enzymes inhibitors) were obtained.Asymmetric palladium allylic alkylation of the benzophenone imine glycine methyl ester using Pd(OAc)2 + (+)DIOP was achieved with up to 68 percent ee; the enantioselective Pd-promoted alkylation of this new and useful prochiral nucleophile for the synthesis of α-amino acids is one of the highest ee known.

Microbial Allyl Rearrangement and Resolution of Acetates of Unsaturated Cyclic Terpene Alcohols by Pseudomonas sp. NOF-5 Strain

Inagaki, Takashi,Ueda, Hiroo

, p. 2635 - 2640 (2007/10/02)

Microbial hydrolysis of the acetates of unsaturated cyclic terpene alcohols by Pseudomonas sp.NOF-5 isolated from soil was investigated. (+/-)-trans-Carveyl acetate ((+/-)-trans-3) was enantioselectively hydrolyzed with NOF-5 strain to give (-)-trans-carveol ((-)-trans-2 of 86.6percent optical purity).However, the hydrolysis of (+/-)-cis-3 was less enantioselective, while (+/-)-piperitylacetate ((+/-)-6, a cis and trans mixture) was hydrolyzed to give the (-)-trans- and (-)-cis-piperitols ((-)-trans-5 and (-)-cis-5) in a poor optical yield.In this case, other tert-alcohols, (+)-trans- and (-)-cis-2-p-menthen-1-ols ((+/-)-trans-7 and (-)-cis-7, were also produced.Furthermore, microbial and enzymic allyl rearrangements of (+)-trans-6 and (-)-trans-verbenylacetate ((-)-trans-11) were studied.Biological treatment of (+)-trans-6 and (-)-trans-11 with NOF-5 or its esterase gave (+)-trans- and (-)-cis-7 and (+)-cis-3-pinen-2-ol ((+)-cis-12), respectively.

Reactions of d-Limonene with t-Butyl Hypochlorite

Ravindranath, B.,Srinivas, P.

, p. 163 - 165 (2007/10/02)

Investigation of the title reaction under different conditions of temperature, solvents and catalysis has led to its optimisation with respect to the yield of (-)-trans-carvyl chloride (2).Other products formed in the reaction have been identified as 1,2-dichloro-p-menth-8-ene (5), 10-chloro-p-mentha-1,8-diene (6), 2-chloro-p-mentha-1(7)8-diene (10) and 6,10-dichloro-p-mentha-1,8-diene (11).The reaction proceeds almost entirely by electrophilic halogenation with no evidence of competition from a radical mechanism.

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