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Methyl 2-ethynylbenzoate, with the chemical formula C11H8O2 and a molecular weight of 172.18 g/mol, is an organic chemical compound derived from benzoic acid. It features a methyl ester group (-COOCH3) and an ethynyl group (-C≡CH) on the benzene ring, exhibiting the typical characteristics of esters, such as low toxicity and a pleasant odor. methyl 2-ethynylbenzoate is widely used in the synthesis of complex molecules, particularly in pharmaceuticals and organic chemistry, and is stored in a cool, dry place to preserve its stability. It can be uniquely identified by its CAS number 7696-37-5.

33577-99-0

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33577-99-0 Usage

Uses

Used in Pharmaceutical Industry:
Methyl 2-ethynylbenzoate is used as a synthetic intermediate for the development of various pharmaceutical compounds. Its unique structure allows for the creation of complex molecules with potential therapeutic applications.
Used in Organic Chemistry:
In the field of organic chemistry, methyl 2-ethynylbenzoate serves as a key building block in the synthesis of a range of organic molecules. Its ethynyl group (-C≡CH) provides opportunities for further chemical reactions and modifications, making it a versatile component in organic synthesis.
Used in Research and Development:
Methyl 2-ethynylbenzoate is utilized in research and development settings to explore its potential applications and properties. Its unique structure and reactivity make it an interesting subject for scientific investigation, potentially leading to new discoveries and applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 33577-99-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,3,5,7 and 7 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 33577-99:
(7*3)+(6*3)+(5*5)+(4*7)+(3*7)+(2*9)+(1*9)=140
140 % 10 = 0
So 33577-99-0 is a valid CAS Registry Number.

33577-99-0SDS

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 methyl 2-ethynylbenzoate

1.2 Other means of identification

Product number -
Other names 2-ethynyl-benzoic acid methyl ester

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:33577-99-0 SDS

33577-99-0Relevant academic research and scientific papers

Pd/Cu-Catalyzed Vinylation of Terminal Alkynes with (2-Bromoethyl)diphenylsulfonium Triflate

Ming, Xiao-Xia,Wu, Shuai,Tian, Ze-Yu,Song, Jia-Wei,Zhang, Cheng-Pan

, p. 6795 - 6800 (2021/09/08)

The potential of (2-bromoethyl)diphenylsulfonium triflate to be a powerful vinylation reagent was determined by the Sonogashira cross-coupling reactions with terminal alkynes. The vinylation proceeded smoothly at 25 °C under Pd/Cu catalysis to afford a variety of 1- and 2-unsubstituted 1,3-enynes in moderate to excellent yields. This protocol represents the first application of (2-haloethyl)diphenylsulfonium triflate as a CH═CH2 transfer source in organic synthesis.

Tertiary amines acting as Alkyl radical equivalents enabled by a P/N heteroleptic Cu(I) photosensitizer

Zheng, Limeng,Jiang, Qinfang,Bao, Hanyang,Zhou, Bingwei,Luo, Shu-Ping,Jin, Hongwei,Wu, Huayue,Liu, Yunkui

, p. 8888 - 8893 (2020/11/30)

An unprecedented exploration of tertiary amines as alkyl radical equivalents for cross-coupling with aromatic alkynes to access allylarenes has been achieved by a P/N heteroleptic Cu(I)based photosensitizer under photoredox catalysis conditions. Mechanist

SMALL MOLECULE INHIBITORS OF A PROTEIN COMPLEX

-

, (2020/12/29)

Compositions and methods for treating thrombosis, inflammation, and atherosclerosis by administration of a compound that binds to KRIT1 to inhibit binding with HEG1.

Synthesis of 5H-Selenopheno[3,2-c]isochromen-5-ones Promoted by Dialkyl Diselenides and Oxone

Goulart, Helen A.,Neto, José S. S.,Barcellos, Angelita M.,Barcellos, Thiago,Silva, Márcio S.,Alves, Diego,Jacob, Raquel G.,Lenard?o, Eder J.,Perin, Gelson

, p. 3403 - 3411 (2019/05/28)

We describe here for the first time the synthesis of isochromenones fused to selenophenes. 5H-Selenopheno[3,2-c]isochromen-5-ones were obtained through a double intramolecular cyclization of methyl 2-(organyl-1,3-diynyl)benzoate promoted by electrophilic species of selenium generated in situ by the reaction of dialkyl diselenides with Oxone, using ethanol as solvent. The reactions were conducted satisfactorily under mild conditions, using a range of 1,3-diynes and dialkyl diselenides as substrates. A total of sixteen unprecedent 5H-selenopheno[3,2-c]isochromen-5-ones were selectively obtained in moderate to good yields (40–86%) under reflux in an open flask and in short reaction times (1.0–2.5 h). (Figure presented.).

New condensed aryl compounds and organic light-emitting diode including the same

-

, (2019/08/21)

PURPOSE: A fused aryl compound is provided to improve low driving voltage and luminous efficiency by having excellent luminous performance while having stability. CONSTITUTION: A fused aryl compound is indicated in chemical formula 1. An organic electroluminescent device comprises an anode, a cathode, and a fused aryl compound inserted between the anode and the cathode. The fused aryl compound is comprised in an electroluminescent layer between the anode and the cathode. One or more layers selected from a hole injection layer, a hole transport layer, an electron block layer, a hole block layer, an electron transport layer, and an electron injection layer\ are additionally comprised in between the anode and the cathode.

Gold(i)-catalyzed Nicholas reaction with aromatic molecules utilizing a bifunctional propargyl dicobalt hexacarbonyl complex

Okamura, Toshitaka,Fujiki, Shogo,Iwabuchi, Yoshiharu,Kanoh, Naoki

, p. 8522 - 8526 (2019/10/02)

A benchtop-stable reagent for the catalytic Nicholas reaction was developed. By combining a propargyl dicobalt hexacarbonyl cluster with an ortho-alkynylbenzoate unit and a fluorous tag, introduction of a propargyl hexacarbonyl complex on various aromatic compounds having acid- or base-sensitive functional groups becomes possible by using a gold(i) catalyst. In addition, the presence of a fluorous tag facilitates convenient separation of the target products from byproducts.

COMPLEX COMPOUND, METHOD FOR PRODUCING COMPOUND HAVING CARBON-CARBON TRIPLE BOND, METHOD FOR PRODUCING INTERMEDIATE IN THE METHOD, AND KIT FOR USE IN THESE METHODS

-

, (2020/01/08)

PROBLEM TO BE SOLVED: To provide a method for introducing a dicobalt cationic complex into a raw material compound under a milder condition, and a novel compound useful for conducting a method for introducing a carbon-carbon triple bond such as a propargyl group into the raw material compound. SOLUTION: The present invention provides a dicobalt cationic complex compound represented by the formula 23a or a salt thereof. Using the compound makes it possible to introduce a C3 dicobalt cationic complex portion into methoxy naphthalene or the like, and further, removing Co makes it possible to introduce a propargyl group. SELECTED DRAWING: None COPYRIGHT: (C)2019,JPO&INPIT

Metal-Free Synthesis of 4-Chloroisocoumarins by TMSCl-Catalyzed NCS-Induced Chlorinative Annulation of 2-Alkynylaryloate Esters

Norseeda, Krissada,Chaisan, Nattawadee,Thongsornkleeb, Charnsak,Tummatorn, Jumreang,Ruchirawat, Somsak

, p. 16222 - 16236 (2019/12/25)

4-Chloroisocoumarins can be conveniently prepared from 2-alkynylaryloate esters via the activation of alkynes by electrophilic chlorine, generated in situ from N-chlorosuccinimide (NCS) in the presence of 10 mol % trimethylsilyl chloride (TMSCl), which leads to 6-endo-dig-selective chlorinative annulation to give the desired products in moderate to quantitative yields. The procedure employs readily available reagents and can be conveniently carried out on a wide scope of substrates under mild conditions (0 °C to rt). Furthermore, the reaction is scalable for gram-scale preparation of 4-chloroisocoumarins. Additionally, 4-bromo- and 4-iodoisocoumarins can be prepared in moderate to good yields by replacing NCS with N-bromosuccinimide (NBS) and N-iodosuccinimide (NIS), respectively.

Configurationally Stabilized Analogs of M. ulcerans Exotoxins Mycolactones A and B Reveal the Importance of Side Chain Geometry for Mycolactone Virulence

Gehringer, Matthias,M?der, Patrick,Gersbach, Philipp,Pfeiffer, Bernhard,Scherr, Nicole,Dangy, Jean-Pierre,Pluschke, Gerd,Altmann, Karl-Heinz

supporting information, p. 5853 - 5857 (2019/08/26)

Mycolactones A/B (1a/b) are exotoxins of Mycobacterium ulcerans that are the molecular cause of Buruli ulcer. 1a/b represent a rapidly equilibrating mixture of Z/E isomers about the C4′=C5′ double bond of the C5-side chain. Here, we describe the syntheses

Divergent Syntheses of (Z)-3-Alkylideneisobenzofuran-1(3 H)-ones and 1 H-Isochromen-1-ones by Copper-Catalyzed Cycloisomerization of 2-Alkynylbenzoic Acids in Ionic Liquids

Mancuso, Raffaella,Pomelli, Christian S.,Chiappetta, Piera,Gioia, Katia F.,Maner, Asif,Marino, Nadia,Veltri, Lucia,Chiappe, Cinzia,Gabriele, Bartolo

, p. 6673 - 6680 (2018/06/01)

The cycloisomerization of readily available 2-alkynylbenzoic acids 1 in ionic liquids (ILs) as recyclable reaction media has been studied under the catalytic action of CuCl2. With substrates bearing an aryl group on the triple bond, a mixture o

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