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Benzamide, 2-(phenylethynyl)-, also known as 2-(phenylethynyl)benzamide or 2-ethynylbenzene-1-carboxamide, is an organic compound with the chemical formula C15H11NO. It is a derivative of benzamide, featuring a phenylethynyl group attached to the 2-position of the benzene ring. Benzamide, 2-(phenylethynyl)- is characterized by its unique structure, which includes a triple bond between the phenyl and ethynyl groups, and an amide functional group. It is a white to off-white crystalline solid and is used in various chemical reactions and as an intermediate in the synthesis of pharmaceuticals and other organic compounds. The compound is also known for its potential applications in materials science, particularly in the development of new polymers and materials with unique properties.

80221-08-5

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80221-08-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 80221-08-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,0,2,2 and 1 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 80221-08:
(7*8)+(6*0)+(5*2)+(4*2)+(3*1)+(2*0)+(1*8)=85
85 % 10 = 5
So 80221-08-5 is a valid CAS Registry Number.

80221-08-5SDS

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 2-(2-phenylethynyl)benzonitrile

1.2 Other means of identification

Product number -
Other names 2-phenylethynylbenzamide

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:80221-08-5 SDS

80221-08-5Relevant academic research and scientific papers

Electrochemical synthesis of isobenzofuran-1-imines using oxidative halocyclization ofo-alkynylbenzamides

Anandhan, Ramasamy,Bhagavathiachari, Muthuraaman,Bhargava Reddy, Mandapati,Peri, Rajagopal

supporting information, p. 6792 - 6796 (2021/08/20)

Electrochemical oxidative 5-exo-dig-oxo-halocyclization ofo-alkynylbenzamides was achieved using readily available NaX (X = Cl, Br and I) salts under mild reaction conditions. The use of a cheap and highly stable sodium halide as a halide ion source is im

Phosphazene Superbase-Mediated Regio- and Stereoselective Iodoaminocyclization of 2-(1-Alkynyl)benzamides for the Synthesis of Isoindolin-1-ones

Mehta, Saurabh,Brahmchari, Dhirendra

, p. 5492 - 5503 (2019/05/10)

Phosphazene superbase P4-t-Bu mediated iodoaminocyclization of 2-(1-alkynyl)benzamides is reported. The reaction works under ambient conditions and instantaneously results in the synthesis of isoindolin-1-ones in 65-97% yields, in a regio- and stereoselective manner. The exclusive formation of products with Z-geometry (across the exo C?C bond) has been confirmed through X-ray crystallography. The methodology also provides an easy access to aristolactams, an important class of natural products. This has been successfully demonstrated by synthesizing two aristolactam derivatives (including Cepharanone B).

Regio- and Stereoselective Synthesis of Isoindolin-1-ones through BuLi-Mediated Iodoaminocyclization of 2-(1-Alkynyl)benzamides

Brahmchari, Dhirendra,Verma, Akhilesh K.,Mehta, Saurabh

supporting information, p. 3339 - 3347 (2018/03/23)

A simple and straightforward synthesis of isoindolin-1-ones is reported. Exclusive N-cyclization of the amide functional group, an ambident nucleophile, was accomplished for the cyclization of 2-(1-alkynyl)benzamides using n-BuLi-I2/ICl. The methodology works with the primary amide and affords the desired isoindolinones in yields of 38-94%. Interestingly, the isolated products exhibit a Z-stereochemistry across the C=C double bond. The reaction mechanism involving the formation of either a vinylic anion or an intimate ion pair intermediate is proposed.

Super acid catalysed sequential hydrolysis/cycloisomerization of o-(acetylenic)benzamides under microwave condition: Synthesis, antinociceptive and antiinflammatory activity of substituted isocoumarins

Praveen, Chandrasekaran,Dheenkumar,Perumal

, p. 71 - 83 (2013/05/09)

Synthesis of isocoumarins and related compounds via triflic acid promoted hydrolysis/cyclization sequence of 2-(alkynyl)benzamides under microwave condition was achieved. The substrate scope of the reaction was broad to include not only aromatic but also

Synthesis of 1-aminoisoquinolines by gold(III)-mediated domino reactions from 2-alkynylbenzamides and ammonium acetate

Long, Yuhua,She, Zhigang,Liu, Xiaochen,Chen, Yu

, p. 2579 - 2588 (2013/04/24)

A facile synthetic route toward pharmaceutically interesting 1-aminoisoquinoline derivatives by gold(III)-mediated domino reactions is described. This synthetic protocol starts from readily available 2-alkynylbenzamides and ammonium acetate and takes plac

Photo-induced sonogashira C-C coupling reaction catalyzed by simple copper(I) chloride salt at room temperature

Sagadevan, Arunachalam,Hwang, Kuo Chu

supporting information, p. 3421 - 3427 (2013/02/22)

The conventional thermal Sonogashira C-C coupling reaction requires the use of a palladium catalyst and a large amount of ligands. Although there were a few reports describing the use of inexpensive metal catalysts, such as, copper (Cu), iron (Fe), and nickel (Ni), for replacement of palladium (Pd) in the Sonogashira reactions, it was later questioned that the observed effects were due to ppb levels contamination of Pd present in the reagents used in the reactions. Herein, we report that simple copper(I) chloride (CuCl) salt, in the absence of Pd and ligands, can catalyze the Sonogashira reaction with high yields (80-99%) under blue LED light irradiation at room temperature. Control experiments show that no cross-coupling product was formed, when palladium(II) chloride (PdCl2) was used to replace CuCl as a catalyst. A series of electron-rich and electron-poor substituted aryl halides (bromides and iodides) as well as aryl- and alkylacetylenes are examined and the reaction mechanism is discussed.

Regio- and stereoselective synthesis of cyclic imidates via electrophilic cyclization of 2-(1-alkynyl)benzamides. A correction

Mehta, Saurabh,Yao, Tuanli,Larock, Richard C.

supporting information, p. 10938 - 10944 (2013/02/22)

The electrophilic cyclization of 2-(1-alkynyl)benzamides affords high yields of cyclic imidates, instead of the previously reported isoindolin-1-ones, where cyclization proceeds on the oxygen of the carbonyl group rather than the nitrogen of the amide fun

Copper(II)chloride-mediated cyclization reaction of N-alkoxy- orthoalkynylbenzamides

Jithunsa, Manita,Ueda, Masafumi,Miyata, Okiko

supporting information; experimental part, p. 518 - 521 (2011/04/16)

A regioselective intramolecular cyclization/halogenation reaction of N-alkoxy-o-alkynylbenzamides with CuCl2/NCS was developed. The corresponding 3-(chloromethylene)isobenzofuran-1-ones were exclusively obtained via 5-exo-dig cyclization in moderate to excellent yields within 0.5-1 h. This approach has been successfully used to synthesize a biaryl compound by the Suzuki-Miyaura reaction.

Platinum(II)-catalyzed intramolecular cyclization of alkynylbenzonitriles: Synthesis of 1-alkoxyisoquinolines and isoquinolones

Li, Jim,Chen, Lijing,Chin, Elbert,Lui, Alfred S.,Zecic, Hasim

experimental part, p. 6422 - 6425 (2010/12/25)

A facile synthesis of a series of 1-alkoxyisoquinolines and (2H)-isoquinolones by an intramolecular 6-endo-dig cyclization of ortho-alkynylbenzonitriles in the presence of a catalytic amount of hydrido(dimethylphosphinous acid-κP)[hydrogen bis(dimethylphosphinito- κP)]platinum(II) in various alcohols at 65-90 °C is described for the first time.

Regio- and stereoselective synthesis of isoindolin-1-ones via electrophilic cyclization

Yao, Tuanli,Larock, Richard C.

, p. 1432 - 1437 (2007/10/03)

(Chemical Equation Presented) A variety of substituted isoindolin-1-ones are readily prepared in good to excellent yields under very mild reaction conditions by the reaction of o-(1-alkynyl)benzamides with ICl, I2, and NBS. In a few cases, subs

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