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(4-FLUORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER is a chemical compound that belongs to the ester group, characterized by a propynoic acid core with an ethyl ester functional group. The incorporation of a fluorine atom in the phenyl ring endows the compound with distinctive properties, rendering it valuable for a range of chemical processes and research applications.

1736-31-8

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1736-31-8 Usage

Uses

Used in Pharmaceutical Industry:
(4-FLUORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER is used as a synthetic intermediate for the development of novel compounds with potential biological activities. Its unique properties and structural features make it a promising candidate for creating new drugs with improved efficacy and selectivity.
Used in Agrochemical Industry:
In the agrochemical sector, (4-FLUORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER is utilized as a building block in the synthesis of new agrochemicals, contributing to the development of innovative products with enhanced performance and selectivity in crop protection.
Used in Specialty Chemicals Production:
(4-FLUORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER is employed as a key component in the production of specialty chemicals, leveraging its unique properties to create high-value products for various applications, such as materials science, coatings, and fragrances.
Used in Organic Chemistry Synthesis:
As a versatile building block, (4-FLUORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER is used in organic chemistry synthesis to construct complex molecular structures and functional materials, facilitating advancements in chemical research and the development of new technologies.

Check Digit Verification of cas no

The CAS Registry Mumber 1736-31-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,7,3 and 6 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1736-31:
(6*1)+(5*7)+(4*3)+(3*6)+(2*3)+(1*1)=78
78 % 10 = 8
So 1736-31-8 is a valid CAS Registry Number.
InChI:InChI=1/C11H9FO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,2H2,1H3

1736-31-8SDS

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 ethyl 3-(4-fluorophenyl)prop-2-ynoate

1.2 Other means of identification

Product number -
Other names ethyl 4-fluorophenylpropiolate

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:1736-31-8 SDS

1736-31-8Relevant academic research and scientific papers

Three-component domino process for the pyrrolizine skeleton via [3 + 2]-cycloaddition-enamine cyclization triggered by a gold catalyst

Sugimoto, Kenji,Yamamoto, Nozomi,Tominaga, Daisuke,Matsuya, Yuji

, p. 1320 - 1323 (2015)

Pyrrolizines are bicyclic fused azaheterocycles with a bridgehead nitrogen contained in a core skeleton and are often found in biologically active compounds. Despite their importance, there have been few reports on concise and flexible syntheses of pyrrolizines. A novel one-pot, convergent method is described for pyrrolizines by simple mixing of iminoesters, acetylenes, and dipolarophiles in the presence of a cationic gold catalyst and an acid additive. This domino process affords multisubstituted pyrrolizines without handling unstable intermediates.

Z-Selective phosphine promoted 1,4-reduction of ynoates and propynoic amides in the presence of water

Drikermann, Denis,Kupfer, Stephan,Seifert, Fabian,Steinmetzer, Johannes,Vilotijevic, Ivan,Zi, You

supporting information, p. 6092 - 6097 (2021/07/21)

Phosphine-mediated reductions of substituted propynoic esters and amides in the presence of water yield the partially reduced α,β-unsaturated esters and amides with highZ-selectivity. The competitivein situ ZtoE-isomerization of the product in some cases lowers theZtoEratios of the isolated α,β-unsaturated carbonyl products. Reaction time and the amounts of phosphine and water in the reaction mixture are the key experimental factors which control the selectivity by preventing or reducing the rates ofZ- toE-product isomerization. Close reaction monitoring enables isolation of theZ-alkenes with high selectivities. The computational results suggest that the reactions could be highlyZ-selective owing to the stereoselective formation of theE-P-hydroxyphosphorane intermediate.

Consecutive Three-Component Coupling-Addition Synthesis of β-Amino Enoates and 3-Hydroxypyrazoles via Ethyl 3-Arylpropiolates

Niedballa, Jonas,Reiss, Guido J.,Müller, Thomas J. J.

supporting information, p. 5019 - 5024 (2020/07/24)

Two consecutive three-component syntheses furnishing β-amino enoates or 3-hydroxypyrazoles based upon the Sonogashira alkynylation of aryl iodides and ethyl propiolate were established in mostly excellent yields. The ethyl 3-arylpropiolate intermediates are Michael systems which are suited for concatenation with conjugate addition or cyclocondensation giving access to libraries of 21 different β-amino enoates and 17 different 3-hydroxypyrazoles. The rotational barrier of β-pyrrolidino enoates was assessed by studying the coalescence of pyrrolidinyl protons in VT-NMR spectra of electronically different substituted derivatives showing that the electronic substituent effect on the aryl group does not affect the height of the rotational barrier. This indicates that the substituents are essentially oriented orthogonally to the plane of the β-pyrrolidino enoates.

Metal-Free Oxidative [5+1] Cyclization of 1,5-Enynes for the Synthesis of Pyrazine 1-Oxide

Xia, Xiao-Feng,Zhao, Mingming,He, Wei,Zou, Lianghua,San, Xinxin,Wang, Dawei

supporting information, p. 3621 - 3626 (2020/08/05)

A chemo-selective nitrosylation of 1,5-enynes via a sequence of NO radical incorporation and intramolecular radical cyclization was reported. The formation of two C?N bonds and one C?O bond make this [5+1] cycloaddition reaction an efficient approach to synthesize pyrazine 1-oxides in moderate to good yields. Metal-free, short reaction time and mild conditions render this strategy more practical, eco-friendly and convenient. Synthetic utility of this protocol is highlighted by scaffolds diversification. (Figure presented.).

Copper-catalyzed enantioselective conjugate reduction of α,β-unsaturated esters with chiral phenol–carbene ligands

Mimura, Shohei,Mizushima, Sho,Sawamura, Masaya,Shimizu, Yohei

, p. 537 - 543 (2020/05/14)

A chiral phenol–NHC ligand enabled the copper-catalyzed enantioselective conjugate reduction of α,β-unsaturated esters. The phenol moiety of the chiral NHC ligand played a critical role in producing the enantiomerically enriched products. The catalyst worked well for various (Z)-isomer substrates. Opposite enantiomers were obtained from (Z)- and (E)-isomers, with a higher enantiomeric excess from the (Z)-isomer.

Efficient Access to Chiral β-Borylated Carboxylic Esters via Rh-Catalyzed Hydrogenation

Liu, Gang,Li, Anqi,Qin, Xueyuan,Han, Zhengyu,Dong, Xiu-Qin,Zhang, Xumu

, p. 2844 - 2848 (2019/04/26)

Rh/bisphosphine?thiourea ligand (ZhaoPhos)-catalyzed asymmetric hydrogenation of (Z)-β-substituted-β-boryl-α,β-unsaturated esters was successfully developed, furnishing a variety of chiral β-borylated carboxylic esters with high yields and excellent enantioselectivities (up to 99% yield and >99% ee). The gram-scale asymmetric hydrogenation was performed efficiently in the presence of only 0.05 mol% (S/C=2 000) catalyst loading with full conversion, 99% yield and 99% ee. Moreover, the hydrogenation product was easily converted to other versatile synthetic intermediates, such as methyl (S)-3-hydroxy-3-phenylpropanoate and methyl (S)-3-(furan-2-yl)-3-phenylpropanoate. (Figure presented.).

Synthesis of Chiral β-Borylated Carboxylic Esters via Nickel-Catalyzed Asymmetric Hydrogenation

Han, Zhengyu,Liu, Gang,Zhang, Xianghe,Li, Anqi,Dong, Xiu-Qin,Zhang, Xumu

, p. 3923 - 3926 (2019/06/14)

The highly efficient Ni-catalyzed asymmetric hydrogenation of β-boronic ester substituted-α,β-unsaturated carboxylic esters was successfully developed using (S,S)-Ph-BPE as the ligand. A series of chiral β-borylated carboxylic esters were obtained with high yields (94%-99% yields) and excellent enantioselectivities (89%-99% ee). The gram-scale asymmetric hydrogenation with a low catalyst loading (0.25 mol %) and synthetic transformation of hydrogenation product demonstrated the great synthetic utility of this methodology.

Palladium-Catalyzed Regio- and Stereoselective Sulfonylation of Aryl Propiolates with Sulfonyl Hydrazides: Access to (E)-β-Aryl Sulfonyl Acrylates

Jiang, Huanfeng,Yan, Wuxin,Huang, Jiuzhong,Tan, Chaowei,Zhan, Lingzhi,Wu, Wanqing

supporting information, p. 4575 - 4580 (2019/09/16)

An efficient method for the synthesis of (E)-β-aryl sulfonyl acrylates has been reported. This palladium-catalyzed approach showed excellent regio- and stereoselectivity in the sulfonylation of aryl propiolates with sulfonyl hydrazides. Through this approach, a wide range of (E)-β-aryl sulfonyl acrylates were obtained in moderate to high yields. (Figure presented.).

Trans -Hydroboration vs. 1,2-reduction: Divergent reactivity of ynones and ynoates in Lewis-base-catalyzed reactions with pinacolborane

Zi, You,Sch?mberg, Fritz,Seifert, Fabian,G?rls, Helmar,Vilotijevic, Ivan

supporting information, p. 6341 - 6349 (2018/09/10)

Ynones and ynoates react with pinacolborane in a divergent manner in the presence of nucleophilic phosphine catalysts. Ynones are transformed to the corresponding propargyl alcohols in good yields with high regio- and chemoselectivity. Ynoates undergo highly regio- and stereoselective trans-hydroboration to produce E-vinylboronates. Impressive divergence in reactivity of ynones and ynoates can be traced back to the mechanistic aspects of 1,2-reduction and trans-hydroboration. A comparative analysis of the two pathways paints a complex picture in which different reaction rates control selectivity in these seemingly unrelated processes and explains how sufficiently acidic protons in the reaction mixtures can be used to steer the selectivity in different directions.

Rhodium-catalyzed enantioselective decarboxylative alkynylation of allenes with arylpropiolic acids

Grugel, Christian P.,Breit, Bernhard

supporting information, p. 1066 - 1069 (2018/02/23)

A rhodium-catalyzed chemo-, regio-, and enantioselective intermolecular decarboxylative alkynylation of terminal allenes with arylpropiolic acids is reported. Employing a Rh(I)/(R)-Tol-BINAP catalytic system, branched allylic 1,4-enynes were obtained under mild conditions. The overall utility of this protocol is exemplified by a broad functional group compatibility.

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