18937-79-6

Basic information

• Product Name: METHYL 2-HEXYNOATE
• Synonyms: METHYL 2-HEXYNOATE;2-HEXYNOIC ACID METHYL ESTER;methyl hex-2-ynoate;METHYL 2-HEXYNOATE, PURISS;Methyl 2-hexynoate, 98+%;2-hexyoic acid methyl ester
• CAS NO: 18937-79-6
• Molecular Formula: C₇H₁₀O₂
• Molecular Weight: 126.15
• EINECS: 242-690-8
• Product Categories: C6 to C7;Carbonyl Compounds;Esters;Building Blocks;C6 to C7;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks
• Mol File: 18937-79-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 64-66 °C10 mm Hg(lit.)
• Flash Point: 150 °C
• Appearance: Clear colorless to yellow/Liquid
• Density: 0.943 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.734mmHg at 25°C
• Refractive Index: n20/D 1.441(lit.)
• Storage Temp.: 2-8°C
• BRN: 1750018
• CAS DataBase Reference: METHYL 2-HEXYNOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 2-HEXYNOATE(18937-79-6)
• EPA Substance Registry System: METHYL 2-HEXYNOATE(18937-79-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-36
• RIDADR: 3272
• WGK Germany: 3
• Hazardous Substances Data: 18937-79-6(Hazardous Substances Data)

Usage

Chemical Properties

Clear colorless to yellow liquid

InChI:InChI=1/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-4H2,1-2H3

Upstream product

• 67-56-1 methanol 
• 764-33-0 hex-2-ynoic acid 
• 186581-53-3 diazomethane 
• 59696-69-4 3-Oxo-2-(triphenylphosphoranyliden)hexansaeure-methylester 
• 627-19-0 1-Pentyne 
• 79-22-1 methyl chloroformate 
• 98484-90-3 4,6-dimethyl-3,4-dihydro-1H-pyrimidine-2-thione 

Downstream Products

• 879093-51-3 2-phenyl-5-propyl-1,2-dihydro-pyrazol-3-one 
• 689-89-4 (2E,4E)-methylhexa-2,4-dienoate 
• 764-60-3 hex-2-yn-1-ol 
• 18495-25-5 1-bromohex-2-yne 
• 35281-61-9 1-phenyl-2-propyl-2,3-butadien-1-ol 
• 1132669-66-9 C₂₂H₂₂O₃ 
• 1058157-86-0 (S)-2-(4-cyclohexyl-phenoxymethyl)-5-propyl-2,3-dihydro-oxazolo[3,2-a]pyrimidin-7-one 
• 1346153-70-5 C₂₁H₂₃NO₂ 
• 1360896-32-7 methyl (Z)-2-(2-nitrophenyl)-2-hexenoate 
• 1360896-34-9 methyl (Z)-2-phenylethynyl-2-hexenoate 
• 1360896-42-9 methyl (E)-2-(4-methoxyphenyl)-2-hexenoate 
• 1360896-40-7 methyl (Z)-2-(4-methoxyphenyl)-2-hexenoate 
• 1360895-87-9 methyl (E)-2-dimethyl(phenyl)silyl-2-hexenoate 
• 1360895-89-1 (E)-methyl 3-(dimethyl(phenyl)silyl)hex-2-enoate 

Relevant articles and documents

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One-pot synthesis of trisubstituted monomethylated benzene-1,3-diols via a Michael addition-Dieckmann cyclization sequence from methyl (E)3-methoxy-4- methoxycarbonylbut-2-enoate anion and methyl alkynoates and its application to the total synthesis of nidulol

The reaction of methyl (E)3-methoxy-4-methoxycarbonylbut-2-enoate (1) with a number of methyl alkynoates under appropriate conditions gave the monomethylated trisubstituted resorcinol derivatives 3 in a regiocontrolled manner, via a Michael addition-Dieckmann cyclization sequence in one pot. The resorcinol 3d, prepared in this manner, was used as the starting material for a three step, highly efficient (54% from 3d) synthesis of the bioactive fungal metabolite nidulol (4). Georg Thieme Verlag Stuttgart.