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2,2-dimethyl-5-phenyl-pent-4-ynoic acid ethyl ester is a chemical compound with a molecular formula of C15H20O2. It is an ester derivative of a pentynoic acid, featuring a methyl and a phenyl group attached to the carbon chain. 2,2-dimethyl-5-phenyl-pent-4-ynoic acid ethyl ester is known for its utility in organic synthesis and pharmaceutical research, where it serves as a building block for the creation of more complex molecules.

864682-51-9

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864682-51-9 Usage

Uses

Used in Organic Synthesis:
2,2-dimethyl-5-phenyl-pent-4-ynoic acid ethyl ester is used as a key intermediate in the synthesis of various organic compounds. Its unique structure allows for the formation of a wide range of derivatives, making it a valuable component in the development of new chemical entities.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 2,2-dimethyl-5-phenyl-pent-4-ynoic acid ethyl ester is utilized as a starting material for the development of new drugs. Its structural versatility enables the design of potential therapeutic agents with novel mechanisms of action.
Used in the Synthesis of Bioactive Compounds:
2,2-dimethyl-5-phenyl-pent-4-ynoic acid ethyl ester is employed as a precursor in the synthesis of bioactive compounds, which are molecules that exhibit biological activity and can be used as potential drug candidates or for studying biological processes.
Used in Scientific and Industrial Applications:
The ethyl ester form of the compound facilitates easier handling and storage, making 2,2-dimethyl-5-phenyl-pent-4-ynoic acid ethyl ester a preferred choice for various scientific and industrial applications. Its stability and reactivity contribute to its widespread use in research and development settings.

Check Digit Verification of cas no

The CAS Registry Mumber 864682-51-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,6,4,6,8 and 2 respectively; the second part has 2 digits, 5 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 864682-51:
(8*8)+(7*6)+(6*4)+(5*6)+(4*8)+(3*2)+(2*5)+(1*1)=209
209 % 10 = 9
So 864682-51-9 is a valid CAS Registry Number.

864682-51-9Relevant academic research and scientific papers

Copper-Catalyzed Modular Access to N-Fused Polycyclic Indoles and 5-Aroyl-pyrrol-2-ones via Intramolecular N—H/C—H Annulation with Alkynes: Scope and Mechanism Probes

Liu, Yan-Hua,Song, Hong,Zhang, Chi,Liu, Yue-Jin,Shi, Bing-Feng

supporting information, p. 1545 - 1552 (2020/09/09)

Copper-catalyzed intramolecular N—H/C—H annulation with alkynes has been developed. A variety of densely functionalized heterocycles, such as pyrrolo[1,2-a]indoles, indolo[1,2-c]quinazolin-2-ones, oxazolo[3,4-a]indoles, and imidazo[1,5-a]indoles, were synthesized in an atom- and step-economical manner, owing to the high modularized feature of aniline moiety, the linker moiety, as well as the alkyne moiety. By simply changing the oxidant from di-tert-butyl peroxide (DTBP) to 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO), the reaction could readily be transformed to the aminooxygenation pathway, which grabs one oxygen atom from the TEMPO to generate 5-aroyl-pyrrol-2-ones. Mechanistic experiments indicate that vinyl radical is involved in this reaction and an amidyl-radical-initiated radical cascade might be responsible for this transformation.

Copper(II)/Silver(I)-Catalyzed Sequential Alkynylation and Annulation of Aliphatic Amides with Alkynyl Carboxylic Acids: Efficient Synthesis of Pyrrolidones

Zhang, Jitan,Li, Danyang,Chen, Hui,Wang, Binjie,Liu, Zhanxiang,Zhang, Yuhong

supporting information, p. 792 - 807 (2016/03/09)

A highly efficient protocol for the synthesis of pyrrolidones by the copper-catalyzed alkynylation/annulation of aliphatic amides with alkynyl carboxylic acids is discussed in this paper. A broad range of easily accessible alkynyl carboxylic acids were introduced at the β-methyl group of aliphatic amides with the assistance of an 8-aminoquinolyl auxiliary group via decarboxylation to achieve the subsequent cyclic C-N bond formation within one hour. High selectivity of β-methyl groups over methylene groups was observed, and the extension of this catalytic system to the activation of methylene C-H bonds failed. The substrates with two different groups at the α-position of the aliphatic amides lead to the formation of diastereoisomers which is determined by 1H NMR spectroscopy. The initially produced products with Z-configurations can be easily transformed to the corresponding products with E-configurations by the treatment with dilute p-toluenesulfonic acid after the reaction. This catalytic tandem decarboxylative cyclization provides a new opportunity for the direct functionalization of sp3 C-H bonds.

An Approach to Five-Membered Lactams from Aliphatic Amides and Terminal Acetylenes by Nickel Catalysis

Lin, Cong,Zhang, Jitan,Chen, Zhengkai,Liu, Yue,Liu, Zhanxiang,Zhang, Yuhong

, p. 1778 - 1793 (2016/06/09)

A nickel-catalyzed facile synthesis of structurally diverse five-membered lactams from aliphatic amides and terminal acetylenes with the assistance of an 8-aminoquinolyl auxiliary has been achieved. A broad range of terminal acetylenes and aliphatic amide

Cobalt-Catalyzed Cyclization of Aliphatic Amides and Terminal Alkynes with Silver-Cocatalyst

Zhang, Jitan,Chen, Hui,Lin, Cong,Liu, Zhanxiang,Wang, Chen,Zhang, Yuhong

supporting information, p. 12990 - 12996 (2015/10/28)

A new method of cobalt-catalyzed synthesis of pyrrolidinones from aliphatic amides and terminal alkynes was discovered through a C-H bond functionalization process on unactivated sp3 carbons with the silver cocatalyst using a bidentate auxiliary. For the first time, a broad range of easily accessible alkynes are exploited as the reaction partner in C(sp3)-H bond activation to give the important 5-ethylidene-pyrrolidin-2-ones in a site-selective fashion. The reaction tolerates a wide variety of functional groups including -F, -Cl, -Br, -CF3, ether, cyclopropane, and thiophene. Both pyridine ligand and aromatic solvent play the important role for the promotion of reactivity. This cobalt-catalyzed cyclization reaction can be successfully extended to a variety of aromatic amides to afford a variety of isoindolinones. Attractive features of this catalytic system include its low cost, easy operation, and convenient access to a wide range of pyrrolidinones and isoindolinones.

Rhodium-catalyzed arylative cyclization for the enantioselective synthesis of (trifluoromethyl)cyclobutanols

Johnson, Thomas,Choo, Ken-Loon,Lautens, Mark

supporting information, p. 14194 - 14197 (2015/02/19)

A rhodium-catalyzed cyclization of 1-(trifluoro-methyl)-4-alkyn-1-ones with arylboronic acids is described to yield a novel class of small rings: (trifluoromethyl)cyclobutanols bearing an exocyclic double bond. The use of a rhodium/chiral diene complex allowed the reaction to proceed under mild conditions, often with high enantioselectivity. An X-ray crystal structure was obtained confirming the formation of the four-membered ring products.

Gold(I)-catalyzed oxidative rearrangements

Witham, Cole A.,Mauleon, Pablo,Shapiro, Nathan D.,Sherry, Benjamin D.,Toste, F. Dean

, p. 5838 - 5839 (2008/02/12)

A series of gold(I)-catalyzed oxidative rearrangement reactions of alkynes using sulfoxides as stoichiometric oxidants are reported. The reactions are postulated to proceed through intermolecular oxygen atom transfer from the sulfoxide to gold(I)-carbenoi

Studies in chlorin chemistry. II. A versatile synthesis of dihydrodipyrrins

O'Neal, William G.,Roberts, William P.,Ghosh, Indranath,Jacobi, Peter A.

, p. 7243 - 7251 (2007/10/03)

Dihydrodipyrrins are key building blocks for the synthesis of hydroporphyrins, many of which have important biological activity. The title compounds were prepared in stereo- and regioselective fashion by a three-step sequence consisting of (1) Pd(0)-catal

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