Methyl 3-(trimethylsilyl)-4-pentenoate

Basic Information

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CAS Number

185411-12-5

Molecular Formula

C9H18O2Si

Molecular Weight

186.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

54 °C/5.5 mmHg

Refractive Index

n20/D 1.443(lit.)

SMILES

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COC(=O)CC(C=C)[Si](C)(C)C

InChI

InChI=1S/C9H18O2Si/c1-6-8(12(3,4)5)7-9(10)11-2/h6,8H,1,7H2,2-5H3

InChIKey

DJXDHDYQDMVTPZ-UHFFFAOYSA-N

LogP

2.4439

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

170

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

A1-01855
O11894
AC-30882
DTXSID70392005
AKOS015914428
LHA5PS4F2J
CS-0022089
Methyl 3-(trimethylsilyl)-4-pentenoate, (+/-)-
SCHEMBL502858
METHYL3-(TRIMETHYLSILYL)-4-PENTENOATE
4-Pentenoic acid, 3-(trimethylsilyl)-, methyl ester
3-(Trimethylsilyl)-4-pentenoic acid methyl ester
Methyl 3-(trimethylsilyl)pent-4-enoate
185411-12-5
J-802239
AM84642
Methyl (+/-)-3-(trimethylsilyl)-4-pentenoate
Methyl3-(Trimethylsilyl)Pent-4-Enoate
J-650386
A880714
Methyl 3-(trimethylsilyl)-4-pentenoate
MFCD01863734
Methyl 3-(trimethylsilyl)-4-pentenoate, 97%
FT-0690003
BCP06894
Methyl 3-trimethylsilylpent-4-enoate
DS-9303
4-Pentenoic acid,3-(trimethylsilyl)-, methyl ester
methyl 3-trimethylsilylpent-4-enoate
ETHYL 3-(TRIMETHYLSILYL)-4-PENTENOATE
methyl 3-trimethylsilylpent-4-eneoate

MDL Number

MFCD01863734

FAQ

What are the physical and chemical properties of Methyl 3-(trimethylsilyl)-4-pentenoate (CAS: 185411-12-5)?

Methyl 3-(trimethylsilyl)-4-pentenoate is a colorless liquid with a molecular weight of approximately 176.27 g/mol. It has a high boiling point of 160-162°C and a density of about 0.88 g/cm³. This compound is poorly soluble in water but miscible with organic solvents. It exhibits low reactivity under normal conditions, but can undergo hydrolysis in the presence of strong acids or bases. It is stable under acidic and neutral conditions but should be handled under an inert atmosphere to avoid moisture exposure.

How is Methyl 3-(trimethylsilyl)-4-pentenoate (CAS: 185411-12-5) typically synthesized?

Methyl 3-(trimethylsilyl)-4-pentenoate is typically synthesized via the Wittig reaction, where 4-pentenoyl chloride reacts with trimethylsilyl triflate in the presence of a base like triethylamine. The reaction is conducted under an inert atmosphere to prevent side reactions. This method provides good yields and high selectivity, with the product being purified by distillation or column chromatography.

What industries use Methyl 3-(trimethylsilyl)-4-pentenoate (CAS: 185411-12-5)?

Methyl 3-(trimethylsilyl)-4-pentenoate is used in the pharmaceutical industry for the synthesis of various organic compounds. It is also employed in the polymer industry for the modification of polymers and in the semiconductor industry as a precursor for organosilicon compounds. Additionally, it has applications in the development of chemical sensors and as a reagent in analytical chemistry.

What precautions should be taken when handling Methyl 3-(trimethylsilyl)-4-pentenoate (CAS: 185411-12-5)?

When handling Methyl 3-(trimethylsilyl)-4-pentenoate, it is important to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. It should be used in a well-ventilated area or under a fume hood to avoid inhalation of vapors. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal guidelines.