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278394 Sigma-Aldrich

3,5-Dimethyl-1-hexyn-3-ol

98%

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Properties

Related Categories Alkynes, Building Blocks, Chemical Synthesis, Organic Building Blocks, Terminal More...
Quality Level   200
vapor density   4.34 (vs air)
vapor pressure   4.5 mmHg ( 20 °C)
assay   98%
refractive index   n20/D 1.434 (lit.)
bp   150-151 °C (lit.)
density   0.859 g/mL at 25 °C (lit.)
SMILES string   CC(C)CC(C)(O)C#C
InChI   1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3
InChI key   NECRQCBKTGZNMH-UHFFFAOYSA-N

Description

General description

Bimolecular rate constant for the reaction of the hydroxyl radical (OH) with 3,5-dimethyl-1-hexyn-3-ol has been been measured using the relative rate technique. Reaction of CO2 with 3,5-dimethyl-1-hexyn-3-ol catalyzed by CuCl in different ionic liquids and solvents has been investigated.

Application

3,5-Dimethyl-1-hexyn-3-ol may be used to synthesize:
• 3,5-Dimethyl-1-phenyl-1-hexen-3-ol via one-pot palladium-mediated hydrostannylation/Stille cross-coupling.
• 3,5-dimethyl-1-hexyn-3-acetate via esterification with acetic anhydride in a neutral ionic liquid (1-butyl-3-methylimidazolium tetrafluoroborate).
• 3,5-Dimethyl-3-hydroxy-1-hexen-1-yl benzoate via anti-Markovnikov addition of benzoic acid.

Packaging

100, 500 mL in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
RIDADR 
UN 1986 6.1(3) / PGIII
WGK Germany 
WGK 3
Flash Point(F) 
111.2 °F - closed cup
Flash Point(C) 
44 °C - closed cup

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles

Articles

Functionalized Alkynes

Alkynes contain a highly versatile functional group that may be utilized for numerous reactions such as electrophilic additions of hydrogen, halogens, hydrogen halides, or water; metathesis; hydrobor...
Matthias Junkers
ChemFiles 2008, 8.1, 14.
Keywords: 1,3-Dipolar cycloaddition, Addition reactions, Building blocks, Click chemistry, Cycloadditions, Favorskii Reaction, Metathesis, Nucleophilic additions, Nucleophilic substitutions, Substitutions

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Alkynes and Acetylenic Building Blocks

We list over 600 alkyne building blocks, including a wide array of propargyl alcohols, acetylenic boron reagents, and halogenated substrates for cross-coupling. Additionally, many of these are termin...
Keywords: Building blocks, Coupling reactions, Cross couplings

Peer-Reviewed Papers
15

References

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