2-Methyl-4-(trimethylsilyl)-3-butyn-2-ol

Basic Information

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CAS Number

5272-33-3

Molecular Formula

C8H16OSi

Molecular Weight

74.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

42.5 ºC

Boiling Point

156 ºC

Flash Point

66.8±19.8 ºC,

Refractive Index

1.467 (589.3 nm 20 ºC)

SMILES

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CC(C)(C#C[Si](C)(C)C)O

InChI

InChI=1S/C8H16OSi/c1-8(2,9)6-7-10(3,4)5/h9H,1-5H3

InChIKey

UXOWFNWZWBCLDN-UHFFFAOYSA-N

LogP

0.7772

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

174

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-methyl-4-trimethylsilyl-but-3-yn-2-ol
3-Hydroxy-3-methyl-1-trimethylsilyl-1-butyne
2-methyl-4-trimethylsilylbut-3-yn-2-ol
3-Butyn-2-ol,2-methyl-4-(trimethylsilyl)-
2-methyl-4-trimethylsilyl-3-butyn-2-ol
A829226
SCHEMBL130331
MFCD00160794
DS-9791
UXOWFNWZWBCLDN-UHFFFAOYSA-N
5272-33-3
CS-M2009
DTXSID90318469
AMY3325
2-Methyl-4-trimethylsilyl-3-butyn-2-ol( /-)
NSC-331768
NSC331768
FT-0691780
AKOS006346468
2-methyl-4-(trimethylsilyl)-3-butyn-2-ol
SY064444
3-Butyn-2-ol, 2-methyl-4-(trimethylsilyl)-
2-methyl-4-(trimethylsilyl)but-3-yn-2-ol
2-Methyl-4-trimethylsilyl-3-butyn-2-ol
(+/-)-2-Methyl-4-trimethylsilyl-3-butyn-2-ol
2-Methyl-4-(trimethylsilyl)but-3-yn-2-ol
3-HYDROXY-3-METHYL-1-TRIMETHYLSILYL-1-BUTYNE
NSC 331768
3185AH
AK160815
2-methyl-4-trimethylsilyl-but-3-yn

MDL Number

MFCD00160794

Customs Code

2931900090

FAQ

What are the physical and chemical properties of 2-Methyl-4-(trimethylsilyl)-3-butyn-2-ol (CAS: 5272-33-3)?

2-Methyl-4-(trimethylsilyl)-3-butyn-2-ol (CAS: 5272-33-3) is a colorless liquid with a molecular weight of approximately 190.32 g/mol. It has a low solubility in water but is soluble in organic solvents. The compound is reactive and can undergo various reactions such as hydrogenation and silylation. It is also unstable under basic conditions and can undergo elimination reactions.

How is 2-Methyl-4-(trimethylsilyl)-3-butyn-2-ol (CAS: 5272-33-3) typically synthesized?

2-Methyl-4-(trimethylsilyl)-3-butyn-2-ol (CAS: 5272-33-3) can be synthesized by the silylation of 2-methyl-3-butyn-2-ol using trimethylsilyl chloride in the presence of a base such as pyridine. The reaction is typically carried out under anhydrous conditions to avoid hydrolysis and dehydration reactions. The yield and selectivity of the reaction can be controlled by the choice of the base and the reaction conditions.

What industries use 2-Methyl-4-(trimethylsilyl)-3-butyn-2-ol (CAS: 5272-33-3)?

2-Methyl-4-(trimethylsilyl)-3-butyn-2-ol (CAS: 5272-33-3) is primarily used in the pharmaceutical industry for the synthesis of drug intermediates and in the chemical industry for the production of functionalized silanes. It is also used in the polymer industry as a monomer and in the semiconductor industry for the preparation of organosilicon compounds for use in microfabrication processes.

What precautions should be taken when handling 2-Methyl-4-(trimethylsilyl)-3-butyn-2-ol (CAS: 5272-33-3)?

When handling 2-Methyl-4-(trimethylsilyl)-3-butyn-2-ol (CAS: 5272-33-3), proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. This compound is reactive and can undergo elimination reactions under basic conditions, so it should be stored in a fume hood and away from sources of heat and moisture. In case of spills, the area should be ventilated and the spill should be cleaned up using appropriate absorbent materials. Always refer to the safety data sheet (SDS) for detailed handling and disposal information.