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2,3-Butadien-1-one, 1-(2-chlorophenyl)-, with the molecular formula C10H7ClO, is a chemical compound characterized by its clear, colorless to light yellow liquid appearance. It is known for its strong, sweet, floral odor and serves as a versatile intermediate in the synthesis of various products, including pharmaceuticals, agrochemicals, dyes, plastics, and rubber.

196952-95-1

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196952-95-1 Usage

Uses

Used in Pharmaceutical Industry:
2,3-Butadien-1-one, 1-(2-chlorophenyl)is used as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs with potential therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical sector, 2,3-Butadien-1-one, 1-(2-chlorophenyl)is utilized as an intermediate in the production of agrochemicals, which are essential for enhancing crop protection and yield.
Used in Fragrance and Flavor Industry:
Leveraging its strong, sweet, floral scent, 2,3-Butadien-1-one, 1-(2-chlorophenyl)is employed as a component in the creation of fragrances and flavors, adding unique olfactory characteristics to various consumer products.
Used in Dye Production:
2,3-Butadien-1-one, 1-(2-chlorophenyl)is used as a precursor in the production of dyes, contributing to the colorfastness and vibrancy of textiles and other materials.
Used in Plastics Industry:
2,3-Butadien-1-one, 1-(2-chlorophenyl)plays a role in the manufacturing process of plastics, potentially enhancing their properties such as durability and flexibility.
Used in Rubber Industry:
In the rubber industry, 2,3-Butadien-1-one, 1-(2-chlorophenyl)- is utilized in the production of rubber goods, possibly improving their elasticity and resistance to wear.

Check Digit Verification of cas no

The CAS Registry Mumber 196952-95-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,9,6,9,5 and 2 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 196952-95:
(8*1)+(7*9)+(6*6)+(5*9)+(4*5)+(3*2)+(2*9)+(1*5)=201
201 % 10 = 1
So 196952-95-1 is a valid CAS Registry Number.

196952-95-1Relevant academic research and scientific papers

Revisiting the Addition of in-situ Nucleophiles to Allenic Ketones: An Entry Towards Synthesis of Benzodioxins

Sahoo, Sushree Ranjan,Sarkar, Debayan

supporting information, p. 1727 - 1731 (2020/03/13)

The manuscript delineates a revisit towards regioselective addition of in situ generated negative nucleophiles to allenic ketones in the presence of a base. A wide variety of allenic ketones as well as nucleophiles are viable in this transformation. A dir

Synthesis of Acyl Alkenylindium Reagents and Their Application in the Synthesis of (Z)-α,β-Unsaturated Ketones via Palladium-Catalyzed Cross-Coupling Reaction

Park, Youngchul,Min, Jiae,Eom, Dahan,Lee, Phil Ho

supporting information, p. 3934 - 3937 (2015/08/19)

A synthetic method for the preparation of acyl alkenylindium reagents was developed involving the hydroindation reaction of allenyl ketones with indium and indium chloride in methanol under mild conditions. Their synthetic applications were demonstrated from Pd-catalyzed cross-coupling reactions with aryl bromides and iodides and alkenyl and aryl triflates for the synthesis of (Z)-α,β-unsaturated ketones.

Synthesis of 1,2-allenic ketones through oxidation of homopropargyl alcohols with CrO3(cat.)/TBHP under MWI

Zhang, Xin Ying,Qu, Ying Ying,Wang, Yang Yang,Fan, Xue Sen

experimental part, p. 268 - 271 (2012/01/30)

A CrO3 catalyzed oxidation of homopropargyl alcohols with tert-butyl hydroperoxide under microwave irradiation was found to be an efficient and rapid alternative for the preparation of 1,2-allenic ketones. The advantages of this procedure inclu

Tandem reactions of 1,2-allenic ketones leading to substituted benzenes and α,β-unsaturated nitriles

Zhang, Xinying,Jia, Xuefei,Fang, Liangliang,Liu, Nan,Wang, Jianji,Fan, Xuesen

supporting information; experimental part, p. 5024 - 5027 (2011/11/12)

One-pot double Michael addition/intramolecular aldol reaction/ decarboxylation of 1,2-allenic ketones with cyanoacetate offers an efficient and convenient approach to highly functionalized benzenes. With 2-substituted cyanoacetates, the reaction proceeds via a different tandem process to afford α,β-unsaturated nitriles effectively.

Ru(III)-catalyzed oxidation of homopropargyl alcohols in ionic liquid: an efficient and green route to 1,2-allenic ketones

Fan, Xuesen,Qu, Yingying,Wang, Yangyang,Zhang, Xinying,Wang, Jianji

scheme or table, p. 2123 - 2126 (2010/06/14)

An efficient and environmentally benign synthesis of 1,2-allenic ketones via RuCl3-catalyzed oxidation of homopropargyl alcohols in ionic liquid with tert-butyl hydroperoxide (TBHP) as the oxidant was reported for the first time. With its reasonable efficiency and green nature, this oxidation provides a novel alternative route to 1,2-allenic ketones.

Indium-mediated highly regioselective reaction of prop-2-ynyl bromides with acyl cyanides in aqueous media: A convenient synthesis of allenic and propargylic ketones

Yoo, Byung-Woo,Lee, Sung-Jae,Choi, Kwang-Hyun,Keum, Sam-Rok,Ko, Jae-Jung,Choi, Kyung-Il,Kim, Joong-Hyup

, p. 7287 - 7289 (2007/10/03)

Indium-mediated reaction of acyl cyanides 1 with prop-2-ynyl bromides 2 in aqueous media occurs regioselectively to afford either allenic 3 or propargylic ketones 4 depending on the γ-substituent of the prop-2-ynyl bromide under the mild conditions.

C-C-Bond Formation by the Palladium-Catalyzed Cycloisomerization/Dimerization of Terminal Allenyl Ketones: Selectivity and Mechanistic Aspects

Hashmi, A. Stephen K.,Ruppert, Thorsten L.,Knoefel, Thomas,Bats, Jan W.

, p. 7295 - 7304 (2007/10/03)

The scope of the palladium-catalyzed cyclization/dimerization of terminal allenyl ketones 1 to the 2,4-disubstituted furans 3 has been investigated. Simplified and improved conditions almost exclusively provided the dimer 3, accompanied by only traces of the easily separable monomer 2. The formation of an isomer of 3, the unconjugated ketone 4, was completeley suppressed. Under these mild conditions, besides the normal functional group tolerance known for palladium-catalyzed reactions, an interesting selectivity was observed with functional groups that are known to react either in palladium-catalyzed reactions or reactions catalyzed by other transition-metals. Thus aryl halides, terminal alkynes, 1,6-enynes, and α-allenic alcohols were tolerated. In the latter example the selective reaction of only one out of two different allenes was achieved. Mechanistic investigation indicated a Pd(II)/Pd(IV)-cycle involving palladium(II)-γ-alkoxyvinylcarbene and furylpalladium(IV) hydride intermediates, although a second pathway for the formation of the dimer 3 which also involves Pd(IV)-intermediates like the 3,4-dimethylenepalladacyclopentane 23 and the 3-methylenepalladacyclobutane-like structure 15 (respectively 25) could not completely be excluded.

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