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(2-FLUORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER is a chemical compound that belongs to the class of propynoic acid esters. It has a molecular formula of C11H9FO2 and is characterized by its colorless liquid form and a specifically pungent odor. (2-FLUORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER is commonly used in organic synthesis and pharmaceutical research.

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  • 58686-74-1 Structure
  • Basic information

    1. Product Name: (2-FLUORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER
    2. Synonyms: (2-FLUORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER
    3. CAS NO:58686-74-1
    4. Molecular Formula: C11H9FO2
    5. Molecular Weight: 192.19
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 58686-74-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 267.606°C at 760 mmHg
    3. Flash Point: 112.178°C
    4. Appearance: /
    5. Density: 1.174g/cm3
    6. Vapor Pressure: 0.008mmHg at 25°C
    7. Refractive Index: 1.521
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: (2-FLUORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER(CAS DataBase Reference)
    11. NIST Chemistry Reference: (2-FLUORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER(58686-74-1)
    12. EPA Substance Registry System: (2-FLUORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER(58686-74-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 58686-74-1(Hazardous Substances Data)

58686-74-1 Usage

Uses

Used in Pharmaceutical Research and Development:
(2-FLUORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER is used as an intermediate in the production of various pharmaceuticals. Its unique structure and properties make it a valuable component in the synthesis of new drug candidates.
Used in Agrochemical Production:
In the agrochemical industry, (2-FLUORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER is utilized as an intermediate for the development of new agrochemicals, contributing to the creation of innovative products for agricultural applications.
Used as a Reagent in Organic Synthesis:
(2-FLUORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER serves as a reagent in organic synthesis, enabling the formation of complex organic molecules that are essential in various chemical and pharmaceutical processes.
Used in Medicinal Chemistry and Drug Discovery:
Due to its potential applications in medicinal chemistry, (2-FLUORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER is employed in drug discovery efforts, where it aids in the identification and development of new therapeutic agents.
It is important to handle (2-FLUORO-PHENYL)-PROPYNOIC ACID ETHYL ESTER with caution and in accordance with safety guidelines to minimize potential hazards associated with its use.

Check Digit Verification of cas no

The CAS Registry Mumber 58686-74-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,8,6,8 and 6 respectively; the second part has 2 digits, 7 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 58686-74:
(7*5)+(6*8)+(5*6)+(4*8)+(3*6)+(2*7)+(1*4)=181
181 % 10 = 1
So 58686-74-1 is a valid CAS Registry Number.
InChI:InChI=1/C11H9FO2/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h3-6H,2H2,1H3

58686-74-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 3-(2-fluorophenyl)prop-2-ynoate

1.2 Other means of identification

Product number -
Other names ethyl 2-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:58686-74-1 SDS

58686-74-1Relevant articles and documents

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.).

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.

Gold(I)/Chiral N,N′-Dioxide–Nickel(II) Relay Catalysis for Asymmetric Tandem Intermolecular Hydroalkoxylation/Claisen Rearrangement

Li, Jun,Lin, Lili,Hu, Bowen,Zhou, Pengfei,Huang, Tianyu,Liu, Xiaohua,Feng, Xiaoming

supporting information, p. 885 - 888 (2017/01/13)

A highly efficient asymmetric cascade reaction between alkynyl esters and allylic alcohols has been realized. Key to success was the combination of a hydroalkoxylation reaction catalyzed by a π-acidic gold(I) complex with a Claisen rearrangement catalyzed by a chiral Lewis acidic N,N′-dioxide–nickel(II) complex. A range of acyclic α-allyl β-keto esters were synthesized in high yields (up to 99 %) with good diastereoselectivities (up to 97:3) and excellent enantioselectivities (up to 99 % ee) under mild reaction conditions. These products can be easily transformed into optically active β-hydroxy esters, β-hydroxy acids, or 1,3-diols.

Structural design and synthesis of arylalkynyl amide-type peroxisome proliferator-activated receptor γ3 (PPAR γ3)-selective antagonists based on the helix12-folding inhibition hypothesis

Ohashi, Masao,Gamo, Kanae,Tanaka, Yuta,Waki, Minoru,Beniyama, Yoko,Matsuno, Kenji,Wada, Jun,Tenta, Masafumi,Eguchi, Jun,Makishima, Makoto,Matsuura, Nobuyasu,Oyama, Takuji,Miyachi, Hiroyuki

, p. 53 - 67 (2015/01/08)

Peroxisome proliferator-activated receptor γ3 (PPARγ3) antagonists are candidates for treatment of type 2 diabetes, obesity and osteoporosis. However, few rational design strategies are currently available. Here, we utilized the helix12 (H12)-folding inhi

The reaction of substituted ethyl α-bromocinnamates with tetrabutyl ammonium fluoride

Liang, Yan,Zhang, Ying Peng,Yu, Wei

experimental part, p. 777 - 780 (2012/08/27)

The reaction of ethyl α-bromocinnamates with tetrabutyl ammonium fluoride (TBAF) was influenced largely by the position of the substituent at the phenyl ring. While the substrates without an ortho substituent at the phenyl ring were transformed to the cor

TACHYKININ RECEPTOR ANTAGONISTS

-

Page 27, (2010/02/10)

The present invention relates to selective NK-1 receptor antagonists of Formula (I) or a pharmaceutically acceptable salt thereof, for the treatment of disorders associated with an excess of tachykinins.

Diaryl-enynes

-

, (2008/06/13)

Provided, among other things, is a compound of Formula I: wherein: Ar1and Ar2are independently selected aryl groups, optionally substituted with up to five substituents independently selected from the group consisting of alkyl, alkox

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