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3,4-Dimethylcyclopent-2-en-1-one is a chemical compound with a cyclic structure known as cyclopentenone, featuring two methyl groups at positions 3 and 4. It is an enone, characterized by a five-membered ring with one double bond and a carbonyl group. The carbonyl group imparts ketone-like properties, while the double bond and carbonyl group together confer unsaturation and polarity. The presence of methyl groups contributes to its hydrophobic nature. Although not a widely common compound, it finds applications in specific chemical synthesis and reactions. Its molecular formula is C7H10O.

30434-64-1

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30434-64-1 Usage

Uses

Used in Chemical Synthesis:
3,4-Dimethylcyclopent-2-en-1-one is used as an intermediate in the synthesis of various organic compounds. Its unique structure, which includes a carbonyl group and a double bond, allows it to participate in a range of chemical reactions, making it a valuable building block for the creation of more complex molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 3,4-dimethylcyclopent-2-en-1-one is used as a key component in the development of new drugs. Its hydrophobic properties and ability to form stable intermediates in chemical reactions make it a promising candidate for the synthesis of potential therapeutic agents.
Used in Flavor and Fragrance Industry:
3,4-Dimethylcyclopent-2-en-1-one is used as a flavoring agent in the food and beverage industry. Its unique chemical structure contributes to the development of specific taste profiles, enhancing the flavor of various products.
Used in Research and Development:
In the field of research and development, 3,4-dimethylcyclopent-2-en-1-one is used as a model compound for studying the properties and reactivity of enones. Its structure provides insights into the behavior of similar compounds, aiding in the advancement of chemical knowledge and the discovery of new applications.

Check Digit Verification of cas no

The CAS Registry Mumber 30434-64-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,0,4,3 and 4 respectively; the second part has 2 digits, 6 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 30434-64:
(7*3)+(6*0)+(5*4)+(4*3)+(3*4)+(2*6)+(1*4)=81
81 % 10 = 1
So 30434-64-1 is a valid CAS Registry Number.
InChI:InChI=1/C7H10O/c1-5-3-7(8)4-6(5)2/h3,6H,4H2,1-2H3

30434-64-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,4-dimethylcyclopent-2-en-1-one

1.2 Other means of identification

Product number -
Other names AmbkkkkK494

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:30434-64-1 SDS

30434-64-1Relevant academic research and scientific papers

Crown Ether-Substituted Indene and 3,4-Dimethylcyclopentadiene

Plenio, Herbert,Diodone, Ralph

, p. 6650 - 6653 (1993)

Several indene and cyclopentadiene derivatives have been synthesized, which are substituted with crown ethers, thereby creating ligands whose heterotopic faces have the ability to function as ligands in both organometallic and coordination chemistry.The syntheses of mono- and bis-N-3-indenylpropyl-substituted aza-12-crown-4 4, aza-15-crown-5 5, and diaza-18-crown-6 6 ether compounds are described.However it was not possible to isolate stable η5-bound metal complexes with 4, 5, or 6.In an alternative approach 1-(2-aminoethyl)-3,4-dimethyl-cyclopenta-1,3-diene (9) has been prepared from 3,4-dimethylcyclopent-2-enone (7) via Knoevenagel condensation, followed by reduction of the α,β,γ,δ-unsaturated nitrile 8 with LiAlH4/AlCl3.Cyclization of 9 produced the first example of crown ether-substituted cyclopentadienes, N-aza-12-C-4 (10) (12-C-4-HCp''), and as the result of a 2+2 addition, N,N'-bis-1,13-diaza-24-crown-8 (11) (24-C-8-HCp''2).Reaction of 10 with NaH, (CO)3W(CH3CN)3, and CH3I affords the η5-bound complex (12-C-4-Cp'')W(CO)3CH3 (12), which in turn can complex Na(+) to give 13 (=(12)2*Na(+)BPh4(-)).

Facial selectivity in the addition of lithium dimethylcuprate to 6-substituted tricyclo[5.2.1.02,6]deca-4,8-dienones. Synthesis of β-substituted cyclopentenones using flash vacuum thermolysis

Klunder, Antonius J. H.,Volkers, Andries A.,Zwanenburg, Binne

, p. 1243 - 1250 (2014)

The stereoselectivity of the nucleophilic addition of lithium dimethylcuprate and lithium di-n-pentylcuprate to 6-substituted tricyclo[5.2.1.02,6]deca-4,8-dienones was investigated. It was shown that substituents at the 6-position can either exert a steric effect or an electronic effect. Steric approach control predominantly giving the endo product was observed for 6-alkyl substituents. Stereoelectronic control could be adequately rationalised using the Cieplak model. Flash vacuum thermolysis was used to prepare a series of β-substituted cyclopentenoids. The sequence leading to cyclopentenoids has an attractive scope.

Rational Synthesis of Metallo-Cations Toward Redox- A nd Alkaline-Stable Metallo-Polyelectrolytes

Zhu, Tianyu,Sha, Ye,Firouzjaie, Horie Adabi,Peng, Xiong,Cha, Yujin,Dissanayake, D. M. M. Mevan,Smith, Mark D.,Vannucci, Aaron K.,Mustain, William E.,Tang, Chuanbing

supporting information, p. 1083 - 1089 (2020/01/31)

Cations are crucial components in emerging functional polyelectrolytes for a myriad of applications. Rapid development in this area necessitates the exploration of new cations with advanced properties. Herein we describe a combination of computational and experimental design of cobaltocene metallo-cations that have distinct electronic and redox properties. One of the direct outcomes on the first synthesis of a complete set of cation derivatives is to discover highly stable cations, which are further integrated to construct metallo-polyelectrolytes as anion-exchange membranes in solid-state alkaline fuel cells. The device performance of these polyelectrolytes under highly basic and oxidative environments is competitive with many organo-polyelectrolytes.

ADVANCED TRANSITION METAL CATALYTIC SYSTEMS IN TERMS OF COMONOMER INCORPORATIONS AND METHODS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE AND A-OLEFINS USING THE SAME

-

, (2013/02/28)

Provided is a homogeneous catalytic system for use in preparing an ethylene homopolymer or a copolymer of ethylene and α-olefin, and more particularly a Group 4 transition metal compound in which a cyclopentadienyl derivative 3,4-positions of which are substituted with alkyls and an electron-donating substituent are crosslinked around a Group 4 transition metal. Also provided is a method of preparing an ethylene homopolymer or a copolymer of ethylene and α-olefin, having high molecular weight, under high-temperature solution polymerization conditions using the catalytic system including such a transition metal compound and a co-catalyst composed of an aluminum compound, a boron compound or a mixture thereof. The catalyst according to present invention has high thermal stability and enables the incorporation of α-olefin, and is thus effective in preparing an ethylene homopolymer or a copolymer of ethylene and α-olefin, having various properties, in industrial polymerization processes.

Synthesis of 2-cyclopentenones by gold(I)-catalyzed rautenstrauch rearrangement

Shi, Xiaodong,Gorin, David J.,Toste, F. Dean

, p. 5802 - 5803 (2007/10/03)

The rearrangement of 1-ethynyl-2-propenyl pivaloates to cyclopentenones catalyzed by cationic triphenylphosphinegold(I) complexes is described. The reaction tolerates both alkyl and aryl substitution at the acetylenic and olefinic positions. Importantly, the gold(I)-catalyzed rearrangement of enantioenriched propargyl pivaloates proceeds with excellent chirality transfer, thus providing a practical method for the enantioselective synthesis of cyclopentenones. Copyright

Acyclic O- and N-substituted Pentadienyl Cations: Structural Characterisation, Cyclisation and Computational Results

Howell, James A. S.,O'Leary, Paula J.,Yates, Paul C.,Goldschmidt, Zeev,Gottlieb, Hugo E.,Hezroni-Langerman, Daphna

, p. 7231 - 7246 (2007/10/02)

A number of 1- and 3-hydroxy and 1-amino substituted acyclic pentadienyl cations have been characterised by NMR spectroscopy in situ at low temperature.Some of the 3-hydroxy cations undergo cyclisation to give 1-hydroxycyclopentenyl cations which on deprotonation give substituted cyclopentenones.

Cyclocarbonylation of acyclic 1,3-dienes via their tricarbonyl iron complexes: Cyclopenten-2-ones and dicarbonyl cyclopentadienyl iron halides

Franck-Neumann,Michelotti,Simler,Vernier

, p. 7361 - 7364 (2007/10/02)

Tricarbonyl iron complexes of acyclic 1,3-dienes can be converted to conjugated cyclopentenones by decomplexation with aluminium halides. Most complexes of simple dienes need drastic conditions for the cyclocarbonylation to occur (100 Atm CO, 100°C), with the exception of 1,1,3-trialkylbutadiene complexes which are nearly quantitatively converted into cyclopentenones at room temperature, even in the absence of a CO atmosphere. Under the same mild conditions, the other complexes lead in modest yields to cyclopentadienyl dicarbonyl iron halides by a cyclocarbonylation reaction followed by an aluminium halide promoted deoxygenation.

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