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3-Acetylphenylacetylene, with the molecular formula C10H8O, is an organic compound belonging to the acetylenes group. It is distinguished by the presence of an acetyl group and a phenyl group attached to a carbon-carbon triple bond. This unique structure and reactivity make 3-Acetylphenylacetylene a valuable building block in organic synthesis and research, particularly for the development of pharmaceuticals, agrochemicals, and fine chemicals.

139697-98-6

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139697-98-6 Usage

Uses

Used in Pharmaceutical Industry:
3-Acetylphenylacetylene is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure allows for the development of new compounds with potential therapeutic applications.
Used in Agrochemical Industry:
3-Acetylphenylacetylene serves as a crucial building block in the production of agrochemicals. Its reactivity and structural properties enable the creation of novel agrochemicals with improved efficacy and selectivity.
Used in Fine Chemicals Industry:
3-Acetylphenylacetylene is utilized as a versatile starting material in the synthesis of fine chemicals. Its unique properties facilitate the development of high-value specialty chemicals for various applications.
Used in Organic Synthesis and Research:
3-Acetylphenylacetylene is employed as a valuable reagent in organic synthesis and research. Its distinctive structure and reactivity contribute to the exploration of new chemical reactions and the discovery of innovative compounds and materials.

Check Digit Verification of cas no

The CAS Registry Mumber 139697-98-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,9,6,9 and 7 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 139697-98:
(8*1)+(7*3)+(6*9)+(5*6)+(4*9)+(3*7)+(2*9)+(1*8)=196
196 % 10 = 6
So 139697-98-6 is a valid CAS Registry Number.
InChI:InChI=1/C10H8O/c1-3-9-5-4-6-10(7-9)8(2)11/h1,4-7H,2H3

139697-98-6SDS

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 1-(3-ethynylphenyl)ethanone

1.2 Other means of identification

Product number -
Other names 1-(3-Ethynyl-phenyl)-ethanone

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:139697-98-6 SDS

139697-98-6Relevant academic research and scientific papers

Bis[alkynylplatinum(II)] Terpyridine Molecular Tweezer/Guest Recognition Enhanced by Intermolecular Hydrogen Bonds: Phototriggered Complexation via the "caging" Strategy

Fu, Tengfei,Han, Yifei,Ao, Lei,Wang, Feng

, p. 2850 - 2853 (2016)

The binding affinity between alkynylplatinum(II) terpyridine molecular tweezer and naphthol-derived guests can be significantly enhanced by embedding an intermolecular O-H - -N hydrogen bond, facilitating the achievement of a responsive host-guest recognition system via the photolabile "caging" strategy.

Cobalt(II)-based Metalloradical Activation of 2-(Diazomethyl)pyridines for Radical Transannulation and Cyclopropanation

Roy, Satyajit,Das, Sandip Kumar,Chattopadhyay, Buddhadeb

, p. 2238 - 2243 (2018/02/19)

A new catalytic method for the denitrogenative transannulation/cyclopropanation of in-situ-generated 2-(diazomethyl)pyridines is described using a cobalt-catalyzed radical-activation mechanism. The method takes advantage of the inherent properties of a CoIII-carbene radical intermediate and is the first report of denitrogenative transannulation/cyclopropanation by a radical-activation mechanism, which is supported by various control experiments. The synthetic benefits of the metalloradical approach are showcased with a short total synthesis of (±)-monomorine.

Pyrtriazoles, a Novel Class of Store-Operated Calcium Entry Modulators: Discovery, Biological Profiling, and in Vivo Proof-of-Concept Efficacy in Acute Pancreatitis

Riva, Beatrice,Griglio, Alessia,Serafini, Marta,Cordero-Sanchez, Celia,Aprile, Silvio,Di Paola, Rosanna,Gugliandolo, Enrico,Alansary, Dalia,Biocotino, Isabella,Lim, Dmitry,Grosa, Giorgio,Galli, Ubaldina,Niemeyer, Barbara,Sorba, Giovanni,Canonico, Pier Luigi,Cuzzocrea, Salvatore,Genazzani, Armando A.,Pirali, Tracey

, p. 9756 - 9783 (2018/11/23)

In recent years, channels that mediate store-operated calcium entry (SOCE, i.e., the ability of cells to sense a decrease in endoplasmic reticulum luminal calcium and induce calcium entry across the plasma membrane) have been associated with a number of d

Aryl Nitriles from Alkynes Using tert -Butyl Nitrite: Metal-Free Approach to C≡C Bond Cleavage

Dutta, Uttam,Lupton, David W.,Maiti, Debabrata

, p. 860 - 863 (2016/03/01)

Alkyne C≡C bond breaking, outside of alkyne metathesis, remains an underdeveloped area in reaction discovery. Recently, nitrogenation has been reported to allow nitrile formation from alkynes. A new protocol for the metal-free C≡C bond cleavage of terminal alkynes to produce nitriles is reported. This method provides an opportunity to synthesize a vast range of nitriles containing aryl, heteroaryl, and natural product derivatives (38 examples). In addition, the potential of tBuONO to act as a powerful nitrogenating agent for terminal aryl alkynes is demonstrated. (Figure Presented).

Hydration of aromatic terminal alkynes catalyzed by iron(III) sulfate hydrate under chlorine-free conditions

Bassetti, Mauro,Ciceri, Samuele,Lancia, Federico,Pasquini, Chiara

supporting information, p. 1608 - 1612 (2014/03/21)

The hydration of aromatic terminal alkynes performed in acetic acid in the presence of catalytic hydrate ironIII sulfate, Fe2(SO 4)3·nH2O (4-9 mol %), yields the derived aryl methyl ketones with good to excellent yields. Under comparable conditions (18 mol %, 95 C, 24 h), bifunctional substrates were transformed into the monoacetyl or the diacetyl derivatives, depending on the structure of the aromatic diyne. The reaction is compatible with aryl substituents of different nature and ring positions, including hydroxyl, carbonyl groups, and cumulated hydrocarbons. The soft character of the non nucleophilic sulfate anion allows for activation of the triple bond toward carbonoxygen bond formation in the Br?nsted acidic medium. The proposed protocol is based on readily available and non toxic materials, in the absence of chlorine atoms in either the solvent or the metal catalyst.

Bulky, spherical, and fluorinated anion BArF induces 'on-water' activity of silver salt for the hydration of terminal alkynes

Saha, Sayantani,Sarbajna, Abir,Bera, Jitendra K.

supporting information, p. 1444 - 1447 (2014/03/21)

AgBArF displays remarkable 'on-water' activity for catalytic hydration of terminal alkynes although it is ineffective in common organic solvents. Liquid alkynes do not require additive or co-solvent whereas a small amount of ethyl acetate triggers quantitative conversions for solid alkynes.

SUBSTITUTED PHENYLETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX

-

, (2009/04/23)

The present invention is directed to a substituted phenylethynylgold-nitrogen-containing heterocyclic carbene complex represented by the formula (1) or (2): wherein L represents a nitrogen-containing heterocyclic carbene ligand, and X represents an alkyl

Vitamin D analogues

-

Page column 60, (2010/02/05)

The invention concerns novel bi-aromatic compounds having the formula: which are analogs of vitamin D, the process of preparing them, as well as their use in pharmaceutical compositions in human or veterinary medicine, particularly in dermatology, cancer treatment, treatment of auto-immune diseases, and in organ or tissue transplants. Cosmetic compositions and methods of use are also included.

Trisubstituted phenyl derivatives having retinoid agonist, antagonist or inverse agonist type biological activity

-

, (2008/06/13)

Compounds of the formula where the symbols have the meaning defined in the specification, have retinoid, retinois antagonist or retinoid inverse agonist type biological activity.

SUBSTITUTED PHENYLACETYLENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF THESE COMPOUNDS AND COMPOSITIONS

-

, (2008/06/13)

Substituted phenylacetylenes of the formula STR1 wherein one of the groups R1 is a hydrogen atom and the other represents the group of the formula STR2 in which R3 is hydrogen, methyl or ethyl and R4 is a methyl or an amino group and wherein R2 represents mono- or binuclear aromatic or heterocyclic residues containing sulfur, nitrogen or oxygen as hetero atoms and optionally being substituted by 1 to 3 substituents as defined, which specifically inhibit 5-lipoxygenase and are useful in pharmaceutical compositions for prophylaxis and treatment of diseases due to the action of leukotrienes. The compounds may be prepared by reacting a compound of the formula STR3 wherein R2 has the same meaning as above and one of the groups R7 is a hydrogen atom and the other represents the group of the formula --COR3, with hydroxylamine to form the oxime which then is reduced to the corresponding hydroxylamine compound into which the group of the formula --COR4 is introduced.

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