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(4-fluorophenyl)propiolic acid, also known as 4-fluoro-phenyl-prop-2-ynoic acid, is a chemical compound characterized by the molecular formula C9H5FO2. It is a derivative of propiolic acid, distinguished by the presence of a fluorine atom on the phenyl group. (4-fluorophenyl)propiolic acid is notable for its potential applications in various scientific fields, including organic synthesis, pharmaceutical development, materials science, and as a precursor for more complex molecular structures.

706-06-9

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706-06-9 Usage

Uses

Used in Organic Synthesis:
(4-fluorophenyl)propiolic acid is utilized as a key intermediate in organic synthesis for the creation of a variety of chemical products. Its unique structure, featuring a triple bond and a fluorinated phenyl group, allows for versatile reactions and the formation of diverse organic compounds.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, (4-fluorophenyl)propiolic acid serves as a valuable building block for drug discovery and development. Its incorporation into molecular structures can potentially lead to the creation of new pharmaceutical agents with improved therapeutic properties, such as enhanced bioavailability, target specificity, and reduced side effects.
Used in Materials Science:
(4-fluorophenyl)propiolic acid is also employed in materials science, where it may contribute to the development of novel materials with specific properties. Its structural attributes could be harnessed to engineer materials with tailored characteristics for use in various applications, such as sensors, coatings, or advanced composites.
As a Precursor for Complex Molecules:
(4-fluorophenyl)propiolic acid acts as a precursor in the synthesis of more complex organic molecules. Its reactivity and structural features make it a suitable candidate for further functionalization, leading to the formation of intricate molecular architectures with potential applications in various industries.
Further research and exploration of (4-fluorophenyl)propiolic acid are essential to uncover additional applications and properties, expanding its utility across different scientific and industrial domains.

Check Digit Verification of cas no

The CAS Registry Mumber 706-06-9 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,0 and 6 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 706-06:
(5*7)+(4*0)+(3*6)+(2*0)+(1*6)=59
59 % 10 = 9
So 706-06-9 is a valid CAS Registry Number.

706-06-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(4-fluorophenyl)prop-2-ynoic acid

1.2 Other means of identification

Product number -
Other names para-fluorophenylpropiolic acid

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:706-06-9 SDS

706-06-9Relevant academic research and scientific papers

Access to Triazolopiperidine Derivatives via Copper(I)-Catalyzed [3+2] Cycloaddition/Alkenyl C?N Coupling Tandem Reactions

Xiao, Guorong,Wu, Kaifu,Zhou, Wei,Cai, Qian

supporting information, p. 4988 - 4991 (2021/10/14)

A copper-catalyzed [3+2] cylcoaddition/ alkenyl C?N coupling tandem reaction was demonstrated. It provided a method for the formation of triazolopiperidine skeletons. (Figure presented.).

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.

N-Heterocyclic carbene-nitrogen molybdenum catalysts for utilization of CO2

Chen, Fei,Tao, Sheng,Liu, Ning,Dai, Bin

, (2021/01/19)

Three new N-heterocyclic carbene-nitrogen molybdenum complex was synthesized, and its catalytic activity was evaluated in the cycloaddition of epoxides with CO2. The molybdenum complex combined with tetrabutyl ammonium iodide (TBAI) resulted in a catalytic system for efficient conversion of a wide range of terminal and internal epoxides under 80 °C and 5–7 bar pressure for CO2. The cooperative catalysis mechanism between molybdenum complex and TBAI was elucidated, in which molybdenum complex was used as Lewis acid, and TBAI was employed as nucleophilic reagent. In addition, the NHC-Mo catalytic system was also successfully applied for the direct carboxylation of terminal alkynes with CO2.

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.

Microwave-assisted fabrication of a mixed-ligand [Cu4(μ3-OH)2]-cluster-based metal–organic framework with coordinatively unsaturated metal sites for carboxylation of terminal alkynes with carbon dioxide

Wang, Wen-Jing,Sun, Zhong-Hua,Chen, Sheng-Chun,Qian, Jun-Feng,He, Ming-Yang,Chen, Qun

, (2021/05/24)

The development of efficient and stable metal–organic framework (MOF) catalysts with coordinatively unsaturated metal sites for modern organic synthesis is greatly important. Herein, a robust [Cu4(μ3-OH)2]-cluster-based MOF (Cu-MOF) with a mixed-ligand system was successfully fabricated by a microwave-assisted method under mild conditions. The as-prepared Cu-MOF catalyst possessing unsaturated Cu (II) sites exhibited excellent catalytic activity toward the direct carboxylation of 1-ethynylbenzene with CO2, and various propiolic acid derivatives were synthesized in moderate to good yields under optimized reaction conditions. Furthermore, the catalyst remained stable and could be easily recycled for five sequential runs without incredible decrease in catalytic efficiency.

Rh-Catalyzed Asymmetric Hydrogenation of Unsaturated Medium-Ring NH Lactams: Highly Enantioselective Synthesis of N-Unprotected 2,3-Dihydro-1,5-benzothiazepinones

Yin, Congcong,Yang, Tao,Pan, Yingmin,Wen, Jialin,Zhang, Xumu

supporting information, p. 920 - 923 (2020/02/04)

A straightforward method to prepare 1,5-benzothiazepines was reported. Catalyzed by a Rh/Zhaophos complex, unsaturated cyclic NH lactams with a medium-size ring were hydrogenated smoothly, giving remarkably high enantioselectivities. The sulfur atom in the substrates did not bring an inhibition which was observed with commercially available bisphosphine ligands. This method was successfully applied in the scale-up synthesis of (R)-(-)-thiazesim.

Visible light induced 3-position-selective addition of arylpropiolic acids with ethersviaC(sp3)-H functionalization

Luo, Jun,Wan, Zi-Juan,Yuan, Xiao-Feng

supporting information, p. 3258 - 3262 (2020/05/14)

Although the 2-position-selective decarboxylative coupling or addition of arylpropiolic acids with cyclic ethers has been intensively investigated, selective functionalization of arylpropiolic acids at the 3-position is still a big challenge. Herein, an i

A Construction of α-Alkenyl Lactones via Reduction Radical Cascade Reaction of Allyl Alcohols and Acetylenic Acids

Zhang, Hua,Zhang, Guo-Min,He, Shuai,Shi, Zhi-Chuan,Zhang, Xiao-Mei,Wang, Ji-Yu

supporting information, p. 8337 - 8344 (2020/11/03)

An iron-catalyzed cascade reaction of radical reduction of allyl alcohols and acetylenic acids to construct polysubstituted α-alkenyl lactones has been developed. In this paper, various allyl alcohols can form allyl ester intermediates and are further transformed into alkyl radicals, which form products through intramolecular reflex-Michael addition. In addition, this method can be used to prepare spirocycloalkenyl lactones. Interestingly, this protocol can be used to synthesize the skeleton structure of natural products. Moreover, the product can be further transformed into a β-methylene tetrahydrofuran and tetrahydrofuran diene.

Gold-catalyzed homo- And cross-annulation of alkynyl carboxylic acids: a facile access to substituted 4-hydroxy 2: H -pyrones and total synthesis of pseudopyronine A

Choudhary, Shivani,Gayyur,Ghosh, Nayan,Saxena, Anchal

, p. 8716 - 8723 (2020/11/17)

A Au(i)-catalyzed homo- and cross-annulation reaction of alkynyl carboxylic acids offering 3,6-disubstituted 4-hydroxy 2H-pyrones has been demonstrated. The reaction tolerates various substituted alkynyl carboxylic acids and moderate to good yields of α-pyrone scaffolds have been observed. Later, a gram-scale reaction of the acid and the total synthesis of the natural product pseudopyronine A have been carried out successfully.

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.

, (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-

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