2203-80-7

Basic information

• Product Name: 5-METHYL-1-HEXYNE
• Synonyms: (CH3)2CH(CH2)2CequivCH;5-methyl-hex-1-yne;ISOAMYLACETYLENE;5-METHYL-1-HEXYNE;Isoamylacetylene~Isopentylacetylene;1-Hexyne, 5-methyl- (6CI, 7CI, 8CI, 9CI);isopentylacetylene;1-hexyne,5-methyl-
• CAS NO: 2203-80-7
• Molecular Formula: C₇H₁₂
• Molecular Weight: 96.17
• Product Categories: Acetylenes;Acetylenic Hydrocarbons;Alkynes;Organic Building Blocks;Terminal
• Mol File: 2203-80-7.mol
• Article Data: 4

Chemical Properties

• Melting Point: -124°C
• Boiling Point: 91-93°C
• Flash Point: -4°C
• Appearance: /
• Density: 0,732 g/cm3
• Vapor Pressure: 68.1mmHg at 25°C
• Refractive Index: 1.4075
• Water Solubility: Not miscible in water.
• BRN: 1731845
• CAS DataBase Reference: 5-METHYL-1-HEXYNE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-METHYL-1-HEXYNE(2203-80-7)
• EPA Substance Registry System: 5-METHYL-1-HEXYNE(2203-80-7)

Safety Data

• Hazard Codes: F
• Statements: 11-65
• Safety Statements: 16-29-33-62-9
• RIDADR: 3295
• WGK Germany: 3
• HazardClass: 3
• PackingGroup: II
• Hazardous Substances Data: 2203-80-7(Hazardous Substances Data)

Usage

Uses

5-Methyl-1-hexyne is used as pharmaceutical intermediates.

InChI:InChI=1/C7H12/c1-4-5-6-7(2)3/h1,7H,5-6H2,2-3H3

Upstream product

• 570432-32-5 sulfuric acid diisopentyl ester 
• 1066-26-8 sodium acetylide 
• 541-28-6 isopentyl iodide 
• 13865-36-6 1-isobutylallene 
• 926-62-5 isobutylmagnesium bromide 
• 106-96-7 propargyl bromide 
• 107-82-4 i-pentyl bromide 
• 2700-30-3 N,N-diisorpopylformamide 
• 68-12-2 N,N-dimethyl-formamide 
• 101567-94-6 6-methylhept-2-ynoic acid 
• 7664-41-7 ammonia 
• 67-66-3 chloroform 
• 3524-73-0 5-methyl-1-hexene 
• 7726-95-6 bromine 

Downstream Products

• 37050-06-9 7-methyl-3-octyne 
• 35802-58-5 7-Methyl-octin-⁽³⁾-saeureaethylester 
• 35802-60-9 7-Methyl-octadien-(2,3)-saeureaethylester 
• 64285-23-0 chloro-bis-(5-methyl-hex-1-en-t-yl)-borane 
• 90976-94-6 1-chloro-2,7-dimethyl-oct-3-yn-2-ol 
• 14679-79-9 7-methyl-1-vinyloxy-oct-3-yne 
• 112238-33-2 (E)-7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Pentadecafluoro-2-methyl-tridec-5-ene 
• 117906-97-5 (E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Pentadecafluoro-2-(3-methyl-butyl)-dec-2-enoic acid propyl ester 
• 80768-59-8 {1-[1-Chloro-meth-(Z)-ylidene]-4-methyl-pentylselanyl}-benzene 
• 80768-58-7 {1-[1-Chloro-meth-(E)-ylidene]-4-methyl-pentylselanyl}-benzene 
• 81699-86-7 (5-Methyl-hex-1-ynylselanyl)-benzene 
• 137540-59-1 (Z)-1,2-bis(phenylseleno)-5-methyl-1-hexene 
• 137540-81-9 (Z)-1,3-bis(phenylseleno)-6-methyl-2-hepten-1-one 
• 85706-23-6 (6S,10aR)-10-Methoxy-3a,5a-dimethyl-6-(5-methyl-hex-1-ynyl)-hexadecahydro-cyclopenta[a]cyclopropa[2,3]cyclopenta[1,2-f]naphthalen-6-ol 

Relevant articles and documents

Borane-induced radical reduction of 1-alkenyl- and 1-alkynyl-λ3-iodanes with tetrahydrofuran

Exposure of 1-alkenyl(phenyl)- and 1-alkynyl(phenyl)-λ3-iodanes to THF at room temperature in the presence of a catalytic amount of trialkylborane results in smooth reduction to give 1-iodo-1-alkenes and 1-iodo-1-alkynes as major products, respectively. The key step in the reductions probably involves a single-electron transfer from α-tetrahydrofuryl radical to the λ3-iodanes, which generates the labile [9-I-2] iodanyl radicals.

Studies on the Thermal Conversion of Long-chain Alkynes at High Temperatures in the Gas Phase

In the gas phase pyrolysis of long-chain alkynes C5 to C9 at 773 to 873 K, a remarkable portion of molecular reaction (retro-ene analogous decompositions as well as cycloisomerizations of the parent alkynes to cyclopentenes alkylated in 3-position) takes place besides the thermal conversion of the starting compounds via radical chain processes.The different products were separated by GC and the main products identified by means of different methods.The mechanisms of formation of the major products are discussed.