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3-(3-CHLOROPHENYL)PROP-2-YNOIC ACID, also known as 3-(3-CPA), is a chemical compound belonging to the class of propiolic acids. It is a small organic molecule with a molecular formula of C9H5ClO2, characterized by a prop-2-ynoic acid group attached to a 3-chlorophenyl substituent. 3-(3-CHLOROPHENYL)PROP-2-YNOIC ACID has been utilized in research studies as a building block for the synthesis of various biologically active compounds and as a starting material for the preparation of pharmaceuticals and agrochemicals. It may also have potential applications in the fields of material science and organic synthesis.

7396-28-3

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7396-28-3 Usage

Uses

Used in Pharmaceutical Industry:
3-(3-CHLOROPHENYL)PROP-2-YNOIC ACID is used as a building block for the synthesis of various biologically active compounds, contributing to the development of new pharmaceuticals. Its unique structure allows for the creation of diverse molecules with potential therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical industry, 3-(3-CHLOROPHENYL)PROP-2-YNOIC ACID serves as a starting material for the preparation of agrochemicals. Its chemical properties make it suitable for the development of compounds that can be used in crop protection and other agricultural applications.
Used in Material Science:
3-(3-CHLOROPHENYL)PROP-2-YNOIC ACID has potential applications in material science, where its unique structure and properties can be leveraged to develop new materials with specific characteristics for various industrial uses.
Used in Organic Synthesis:
3-(3-CHLOROPHENYL)PROP-2-YNOIC ACID is also utilized in organic synthesis, where it can be employed as a reactant or intermediate in the synthesis of complex organic molecules for a wide range of applications, including pharmaceuticals, agrochemicals, and materials science.

Check Digit Verification of cas no

The CAS Registry Mumber 7396-28-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,3,9 and 6 respectively; the second part has 2 digits, 2 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 7396-28:
(6*7)+(5*3)+(4*9)+(3*6)+(2*2)+(1*8)=123
123 % 10 = 3
So 7396-28-3 is a valid CAS Registry Number.
InChI:InChI=1/C9H5ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,(H,11,12)

7396-28-3SDS

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-(3-chlorophenyl)prop-2-ynoic acid

1.2 Other means of identification

Product number -
Other names 2-Propynoic acid,3-(3-chlorophenyl)

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:7396-28-3 SDS

7396-28-3Relevant academic research and scientific papers

Pre-carbonized nitrogen-rich polytriazines for the controlled growth of silver nanoparticles: Catalysts for enhanced CO2chemical conversion at atmospheric pressure

Liu, Jian,Zhang, Xiaoyi,Wen, Bingyan,Li, Yipei,Wu, Jingjing,Wang, Zhipeng,Wu, Ting,Zhao, Rusong,Yang, Shenghong

, p. 3119 - 3127 (2021/05/25)

High catalytic activity and sufficient durability are two unavoidable key indices of an efficient heterogeneous catalyst for the direct carboxylation of terminal alkynes with CO2 conversion. Nitrogen-rich covalent triazine frameworks (CTFs) are promising substrates, while random distribution of some residual -NH2 groups brings challenges to the controlled growth of catalytic species. Here, we adopt a pre-carbonization protocol, annealing below the carbonization temperature, to eliminate the random -NH2 groups in CTFs and meanwhile to promote polycondensation degree under the premise of maintaining the pore structure. Benefiting from the improved condensation and orderly N atoms, p-CTF-250, for which CTFs are annealed at 250 °C, exhibits improved CO2 adsorption capacity and the ability to control the growth of Ag NPs. Mono-dispersed Ag NPs are generated controllably and entrapped to form Ag@p-CTF-250 catalysts. These Ag@p-CTF-250 catalysts were employed in the direct carboxylation of various terminal alkynes with CO2 under mild conditions (50 °C, 1 atm) and showed excellent catalytic activity. In addition, these catalysts have robust recyclability and can be used for at least 5 catalytic runs while retaining yield above 90%. CO2 conversion proceeds well under the synergistic effect between the high CO2 capture capability and the uniform tiny Ag NPs in Ag@p-CTF-250 "nanoreactors". The results represent an efficient strategy for controlling the growth of metallic nanoparticles in porous organic polymer substrates containing disordered heteroatoms.

Organocatalytic Strategy for the Fixation of CO2via Carboxylation of Terminal Alkynes

Shi, Jun-Bin,Bu, Qingqing,Liu, Bin-Yuan,Dai, Bin,Liu, Ning

, p. 1850 - 1860 (2021/01/14)

An organocatalytic strategy for the direct carboxylation of terminal alkynes with CO2 has been developed. The combined use of a bifunctional organocatalyst and Cs2CO3 resulted in a robust catalytic system for the preparation of a range of propiolic acid derivatives in high yields with broad substrate scope using CO2 at atmospheric pressure under mild temperatures (60 °C). This work has demonstrated that this organocatalytic method offers a competitive alternative to metal catalysis for the carboxylation of terminal alkynes and CO2. In addition, this protocol was suitable for the three-component carboxylation of terminal alkynes, alkyl halides, and CO2.

Oxidant- and additive-free simple synthesis of 1,1,2-triiodostyrenes by one-pot decaroboxylative iodination of propiolic acids

Ghosh, Subhankar,Ghosh, Rajat,Chattopadhyay, Shital K.

supporting information, (2020/09/15)

A metal- and oxidant-free facile synthesis of a range of 1,1,2-triiodostryrene derivatives has been developed which utilizes a simple decarboxylative triiodination of propiolic acids using molecular iodine and sodium acetate in a one-pot manner. Electron-

Sequential protocol for C(sp)–H carboxylation with CO2: KOtBu-catalyzed C(sp)–H silylation and KOtBu-mediated carboxylation

Yu, Bo,Yang, Peng,Gao, Xiang,Yang, Zhenzhen,Zhao, Yanfei,Zhang, Hongye,Liu, Zhimin

, p. 449 - 456 (2018/02/06)

CO2 incorporation into C–H bonds is an important and interesting topic. Herein a sequential protocol for C(sp)–H carboxylation by employing a metal-free C–H activation/catalytic silylation reaction in conjunction with KOtBu-mediated carboxylation with CO2 was established, in which KOtBu catalyzes silylation of terminal alkynes to form alkynylsilanes at low temperature, and simultaneously mediates carboxylation of the alkynesilanes with atmospheric CO2. Importantly, the carboxylation further promotes the silylation, which makes the whole reaction proceed very rapidly. Moreover, this methodology is simple and scalable, which is characterized by short reaction time, wide substrate scope, excellent functional-group tolerance and mild reaction conditions, affording a range of corresponding propiolic acid products in excellent yields in most cases. In addition, it also allows for a convenient 13C-labeling through the use of 13CO2.

Method for preparing propiolic acid and derivatives thereof under mild condition

-

Paragraph 0027; 0028; 0071; 0072, (2018/09/08)

The invention provides a novel method for preparing propiolic acid compounds through a domino reaction. The method comprises a step of subjecting terminal alkyne compounds, hydrosilane and CO2 to thedomino reaction under the catalysis action of Lewis base so as to obtain propiolic acid compounds. According to the invention, common Lewis base is used as a promoter, and corresponding propiolic acidcompounds containing different function groups can be efficiently produced through a reaction of the terminal alkyne compounds with hydrosilane and normal-pressure CO2 under a mild condition (a temperature of 40 DEG D). According to the method, CO2 is used as a raw material; the cheap Lewis base is used as the promoter; usage of precious metals is avoided; the domino reaction is employed; purification and separation of intermediates are not needed; and reaction conditions are mild. Thus, the method is an efficient cheap green synthetic method and has good industrial application value.

Copper-Catalyzed, Stereoselective Bis-trifluoromethylthiolation of Propiolic Acid Derivatives with AgSCF3

Pan, Shen,Li, Huan,Huang, Yangen,Xu, Xiu-Hua,Qing, Feng-Ling

supporting information, p. 3247 - 3250 (2017/06/23)

A copper-catalyzed chemo- and stereoselective oxidative bis-trifluoromethylthiolation of propiolic acid derivatives was achieved by using carboxylic acid as the activating group and formic acid as a cosolvent. The reaction of propiolic acid derivatives and AgSCF3 in the presence of (NH4)2S2O8 and catalytic Cu(OAc)2 in MeCN/HCO2H afforded bis-trifluoromethylthiolated acrylic acids in moderate to excellent yields with E selectivity. Further derivatization of the resultant products gave a series of polysubstituted SCF3-containing alkenes.

CsF-promoted carboxylation of aryl(hetaryl) terminal alkynes with atmospheric CO2 at room temperature

Yu,Yang,Gao,Yang,Zhao,Zhang,Liu

supporting information, p. 9250 - 9255 (2017/08/29)

A CsF-promoted carboxylation of aryl(hetaryl) terminal alkynes with atmospheric CO2 in the presence of trimethylsilylacetylene was developed to give functionalized propiolic acid products at room temperature. A wide range of propiolic acids bearing functional groups was successfully obtained in good to excellent yields. Mechanistic studies demonstrate that in the carboxylation process the alkynylsilane intermediate was first in situ generated, which was then trapped by CO2, giving rise to the corresponding functionalized propiolic acids after acidification. The advantages of this approach include avoiding use of transition-metal catalysts, wide substrate scope together with excellent functional group tolerance, ambient conditions and a facile work-up procedure.

Palladium-Catalyzed Synthesis of Conjugated Allenynes via Decarboxylative Coupling

Smith, Mary K.,Tunge, Jon A.

supporting information, p. 5497 - 5500 (2017/10/25)

A new strategy to access conjugated allenynes via a decarboxylative coupling of propargyl esters of propiolates has been developed. In this process, allenyl-palladium intermediates are coupled with acetylides that are generated in situ to form the conjuga

Iodine-catalyzed Sulfonylation of Arylacetylenic Acids and Arylacetylenes with Sodium Sulfinates: Synthesis of Arylacetylenic Sulfones

Meesin, Jatuporn,Katrun, Praewpan,Pareseecharoen, Chayaporn,Pohmakotr, Manat,Reutrakul, Vichai,Soorukram, Darunee,Kuhakarn, Chutima

, p. 2744 - 2752 (2016/04/26)

A highly efficient and generally applicable iodine-catalyzed reaction of arylacetylenic acids and arylacetylenes with sodium sulfinates for the synthesis of arylacetylenic sulfones was developed. The methodology has the advantages of a metal-free strategy, easy to handle reagents, functional group tolerance, a wide range of arylacetylenic acids and arylacetylenes, and easy access to arylacetylenic sulfones. (Chemical Equation Presented).

β-Ketophosphonate formation via aerobic oxyphosphorylation of alkynes or alkynyl carboxylic acids with H-phosphonates

Zhou, Mingxin,Chen, Ming,Zhou, Yao,Yang, Kai,Su, Jihu,Du, Jiangfeng,Song, Qiuling

supporting information, p. 1786 - 1789 (2015/04/14)

A synergistic Cu/Fe-catalyzed aerobic oxyphosphorylation of alkynes or alkynyl carboxylic acids with H-phosphonate is disclosed. The useful β-ketophosphonate products were obtained in good yields under oxygen atmosphere in a novel way. This reaction exhibits a wide substrate scope, and the mechanistic experiments indicate that a radical mechanism forms both C-P and C=O bonds simultaneously. This mechanism contrasts existing aerobic difunctionalization of alkynes.

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