1-Bromo-3-hexyne

Base Information

• Chemical Name: 1-Bromo-3-hexyne
• CAS No.: 35545-23-4
• Molecular Formula: C6H9 Br
• Molecular Weight: 161.03966
• Hs Code.: 2903399090
• DSSTox Substance ID: DTXSID80449135
• Mol file: 35545-23-4.mol

Synonyms:1-BROMO-3-HEXYNE;1-bromohex-3-yne;35545-23-4;3-Hexynyl bromide;SCHEMBL3842315;DTXSID80449135;AKOS006287106;WS-00341;D86950;EN300-1085900

Chemical Property of 1-Bromo-3-hexyne

Chemical Property:

• PSA: 0.00000
• LogP: 2.18480
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 159.98876
• Heavy Atom Count: 7
• Complexity: 82.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC#CCCBr

Technology Process of 1-Bromo-3-hexyne

There total 2 articles about 1-Bromo-3-hexyne which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-hexyn-1-ol (1002-28-4) → 1-bromo-hex-3-yne (35545-23-4)

Guidance literature:

With diethyl ether; phosphorus tribromide;

DOI:10.1039/jr9500000877

Reference yield:

hex-3-yn-1-yl 4-methylbenzenesulfonate (51721-35-8) → 1-bromo-hex-3-yne (35545-23-4)

Guidance literature:

With sodium bromide; In N,N-dimethyl-formamide; at 75 ℃; for 2h;

Reference yield: 80.0%

1-bromo-hex-3-yne (35545-23-4) + (3R,4R)-4-((S)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-3-hydroxy-1-phenyl-azetidin-2-one (143160-01-4) → C20H25NO4

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydride; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1071/CH19670

upstream raw materials:

3-hexyn-1-ol

hex-3-yn-1-yl 4-methylbenzenesulfonate

Downstream raw materials:

2-hydroxymethylene-3-(3-hexynyl)cyclohexanone

2-diazo-3-(3-hexynyl)cyclohexanone

11-tetradecyn-1-yl acetate

Refernces

• 1、 Pop, Lidia,Oprean, I.,Barabas, A.,Hodosan, F.. "Syntheses of Monounsaturated Sex Pheromones of Lepidoptera via 3-Alkyn-1-ols". . p. 867 - 878. Retrieved 2007/10/02.