1314961-13-1

Basic information

• Product Name: 2-((2-phenyl)ethynyl)-5-methylbenzoic acid methyl ester
• Synonyms: 2-((2-phenyl)ethynyl)-5-methylbenzoic acid methyl ester
• CAS NO: 1314961-13-1
• Molecular Weight: 250.297
• Mol File: 1314961-13-1.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 2-((2-phenyl)ethynyl)-5-methylbenzoic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2-((2-phenyl)ethynyl)-5-methylbenzoic acid methyl ester(1314961-13-1)
• EPA Substance Registry System: 2-((2-phenyl)ethynyl)-5-methylbenzoic acid methyl ester(1314961-13-1)

Safety Data

• Hazardous Substances Data: 1314961-13-1(Hazardous Substances Data)

Upstream product

• 103440-52-4 methyl 2-iodo-5-methylbenzoate 
• 536-74-3 phenylacetylene 

Downstream Products

• 1452790-40-7 C₂₀H₁₈O₃ 
• 1647071-97-3 7-methyl-3-phenyl-4-[(trifluoromethyl)thio]-1H-isochromen-1-one 
• 1314961-28-8 7-methyl-3-phenyl-4-(phenylselenyl)-1H-isochromen-1-one 
• 1314961-33-5 4-(4-chlorophenylselenyl)-7-methyl-3-phenyl-1H-isochromen-1-one 
• 1314961-34-6 7-methyl-3-phenyl-4-(p-tolylselenyl)-1H-isochromen-1-one 
• 1314961-45-9 7-methyl-3-phenyl-1H-2-benzopyran-1-one 

Relevant articles and documents

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.