33577-99-0

Basic information

• Product Name: methyl 2-ethynylbenzoate
• Synonyms: methyl 2-ethynylbenzoate;2-Ethynyl-benzoic acid Methyl ester;OrthoMethoxycarbonylphenylacetylene;NSC 649436;o-Methoxycarbonylphenylacetylene;Methyl o-ethynylbenzoate;Benzoic acid, 2-ethynyl-, methyl ester
• CAS NO: 33577-99-0
• Molecular Formula: C₁₀H₈O₂
• Molecular Weight: 160.16932
• Mol File: 33577-99-0.mol
• Article Data: 46

Chemical Properties

• Boiling Point: 80-85 °C(Press: 1 Torr)
• Appearance: /
• Density: 1.11±0.1 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: methyl 2-ethynylbenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 2-ethynylbenzoate(33577-99-0)
• EPA Substance Registry System: methyl 2-ethynylbenzoate(33577-99-0)

Safety Data

• Hazardous Substances Data: 33577-99-0(Hazardous Substances Data)

Usage

General Description

Methyl 2-ethynylbenzoate is an organic chemical compound with the formula C11H8O2. Its molecular weight is 172.18 g/mol. It is a derivative of benzoic acid, characterized by the presence of a methyl ester group (-COOCH3) and an ethynyl group (-C≡CH) on the benzene ring. It shows similar characteristics to other esters, being typically low in toxicity and having a pleasant odor. It is commonly utilized in the synthesis of complex molecules in the fields of pharmaceuticals and organic chemistry. The substance is typically stored in a cool, dry place to maintain its stability and prevent its decomposition. It can be identified with its CAS number 7696-37-5.

Upstream product

• 610-97-9 o-iodo-methyl-benzoic acid 
• 74-86-2 acetylene 
• 88-67-5 2-Iodobenzoic acid 
• 88-65-3 2-bromobenzoic-acid 
• 1351067-13-4 N-(quinolin-8-yl)-2-((triisopropylsilyl)ethynyl)benzamide 
• 229028-09-5 Methyl 2-[2-(triisopropylsilyl)ethyn-1-yl]benzoate 
• 610-94-6 2-bromobenzoic acid methyl ester 
• 1066-54-2 trimethylsilylacetylene 
• 278175-48-7 methyl 2-(perfluoro-1-butanesulfonyloxy)benzoate 
• 4301-14-8 acetylenemagnesium bromide 
• 107793-07-7 methyl 2-(2-trimethylsilyl-1-ethynyl)benzoate 
• 103606-72-0 methyl 2-(3-hydroxyprop-1-yn-1-yl)benzoate 
• 33577-96-7 methyl 2-(2-hydroxy-2-methyl-3-butyn-4-yl)benzoate 
• 1077-79-8 methyl 2-acetylbenzoate 

Downstream Products

• 160301-04-2 2-(1-Oxo-isochroman-3-ylethynyl)-benzoic acid methyl ester 
• 179007-65-9 2-[3-Hydroxy-4-(1-trifluoromethanesulfonyloxy-naphthalen-2-yl)-but-1-ynyl]-benzoic acid methyl ester 
• 213991-96-9 methyl 1-[2-(2-methoxycarbonylphenyl)-1-ethynyl]-2-naphthoate 
• 69976-43-8 2-(2-(methoxycarbonyl)phenyl)benzo[b]furan 
• 169170-37-0 2-(2'-aminophenylethynyl)benzoic acid methyl ester 
• 54784-10-0 4-butoxy-1-naphthaldehyde 
• 15971-29-6 4-methoxy-1-naphthaldehyde 
• 1126638-99-0 methyl 2-(5-hydroxypenta-1,3-diynyl)benzoate 
• 1644191-05-8 ethyl 5-(2-(methoxycarbonyl)phenyl)-4-((2-(methoxycarbonyl)phenyl)ethynyl)-2-methylfuran-3-carboxylate 
• 1141496-39-0 methyl 2-((4-(trifluoromethyl)phenyl)ethynyl)benzoate 
• 1136083-91-4 methyl 2-{[3-(4-chlorobenzyl)-4-oxo-5-{[2-(trimethylsilyl)ethoxy]methyl}-4,5-dihydro-3H-pyrazolo[4,3-d][1,2,3]triazin-7-yl]ethynyl}benzoate 
• 1246168-55-7 C₁₅H₉FO₂ 
• 120870-46-4 2-[(4-methylphenyl)ethynyl]benzoic acid 
• 859829-95-1 2-((4-methoxyphenyl)ethynyl)benzoic acid 

Relevant articles and documents

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

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.

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

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.