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278394

Sigma-Aldrich

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

98%

Sinônimo(s):

3,5-Dimethyl-1-hexyne-3-ol, 3,5-Dimethylhexyn-3-ol

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About This Item

Fórmula linear:
(CH3)2CHCH2C(CH3)(OH)C≡CH
Número CAS:
107-54-0
Peso molecular:
126.20
Número CE:
203-500-9
Número MDL:
MFCD00008941
Código UNSPSC:
12352100
ID de substância PubChem:
24856811
NACRES:
NA.22

densidade de vapor

4.34 (vs air)

Nível de qualidade

200

pressão de vapor

4.5 mmHg ( 20 °C)

Ensaio

98%

forma

liquid

índice de refração

n20/D 1.434 (lit.)

pb

150-151 °C (lit.)

densidade

0.859 g/mL at 25 °C (lit.)

cadeia de caracteres SMILES

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

chave InChI

NECRQCBKTGZNMH-UHFFFAOYSA-N

Descrição geral

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.

Aplicação

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.

Pictogramas

FlameSkull and crossbones
GHS02,GHS06

Palavra indicadora

Danger

Classificações de perigo

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Irrit. 2 - Flam. Liq. 3

Código de classe de armazenamento

3 - Flammable liquids

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

111.2 °F - closed cup

Ponto de fulgor (°C)

44 °C - closed cup

Equipamento de proteção individual

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificados de análise (COA)

Busque Certificados de análise (COA) digitando o Número do Lote do produto. Os números de lote e remessa podem ser encontrados no rótulo de um produto após a palavra “Lot” ou “Batch”.

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Neutral ionic liquid [BMIm] BF4 promoted highly selective esterification of tertiary alcohols by acetic anhydride.
Duan Z, et al.
J. Mol. Catal. A: Chem., 246(1-2), 70-75 (2006)
A New approach for the generation and reaction of organotin hydrides: the development of reactions catalytic in tin.
Terstiege I and Maleczka R E
The Journal of Organic Chemistry, 64(2), 342-343 (1999)
The hydroxyl radical reaction rate constant and products of 3, 5-dimethyl-1-hexyn-3-ol.
Wells JR.
International Journal of Chemical Kinetics, 36(10), 534-544 (2004)
Efficient Ruthenium?Catalysed Synthesis of 3?Hydroxy?1?propen?1?yl Benzoates: En Route to an Improved Isomerization of 2?Propyn?1?ols into α, β?Unsaturated Aldehydes.
Picquet M, et al.
European Journal of Organic Chemistry, 2000(13), 2361-2366 (2000)
Yanlong Gu et al.
The Journal of organic chemistry, 69(2), 391-394 (2004-01-17)
Reactions of propargylic alcohols with CO(2) in a [BMIm][PhSO(3)]/CuCl catalytic system to produce the corresponding alpha-methylene cyclic carbonates were conducted with high yields. Mild reaction conditions, enhanced rates, improved yields, and recyclable ionic liquid catalyst systems are the remarkable features

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Functionalized Alkynes

Alkynes' versatility enables reactions like addition, metathesis, hydroboration, cleavage, coupling, and cycloadditions in synthetic chemistry.

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