3-ethoxyprop-2-enoyl chloride

Basic Information

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CAS Number

99471-66-6

Molecular Formula

C5H7ClO2

Molecular Weight

134.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

SMILES

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CCOC=CC(=O)Cl

InChI

InChI=1S/C5H7ClO2/c1-2-8-4-3-5(6)7/h3-4H,2H2,1H3/b4-3+

InChIKey

SFMFACMIOWQIPR-ONEGZZNKSA-N

LogP

1.302

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

98.6

Synonyms & References

English

EK7NKC6WE4
InChI=1/C5H7ClO2/c1-2-8-4-3-5(6)7/h3-4H,2H2,1H3/b4-3
(2E)-3-ethoxyprop-2-enoyl chloride
(2e)-3-(ethyloxy)-2-propenoyl chloride
6191-99-7
EN300-107948
99471-66-6
(E)-3-ethoxy-acrylic acid chloride
(E)-3-ethoxy-acryloyl chloride
3-Ethoxyacryloyl chloride
3-Ethoxy-acryloyl chloride, >=85% (H-NMR)
beta-ethoxyacrylic acid chloride
Trans-3-Ethoxypropenoyl chloride
(e)-3-ethoxy-2-propenoyl chloride
GS-6347
NS00044714
3-Ethoxy-acryloyl chloride
3-ethoxyprop-2-enoyl chloride
Acryloyl chloride, 3-ethoxy-
2-Propenoyl chloride, 3-ethoxy-
SCHEMBL94661
trans-3-ethoxyacryloyl chloride
AKOS015838849
EINECS 228-239-8
(E)-3-ETHOXYACRYLOYL CHLORIDE
(2E)-3-ethoxy-2-propenoyl chloride
2-Propenoyl chloride, 3-ethoxy-, (2E)-
AMY22514
SFMFACMIOWQIPR-ONEGZZNKSA-N
MFCD09029675
(E)-3-ethoxyprop-2-enoyl chloride

MDL Number

MFCD09029675

FAQ

What are the physical and chemical properties of 3-ethoxyprop-2-enoyl chloride (CAS: 99471-66-6)?

3-ethoxyprop-2-enoyl chloride is a liquid with a molecular weight of approximately 142.17 g/mol. It has a specific gravity of about 1.11 g/cm³ and is only slightly soluble in water. It is highly reactive due to the presence of a reactive acylium ion and easily undergoes nucleophilic addition reactions. It is also prone to hydrolysis under basic conditions.

How is 3-ethoxyprop-2-enoyl chloride (CAS: 99471-66-6) typically synthesized?

3-ethoxyprop-2-enoyl chloride is typically synthesized via the reaction of 3-ethoxyprop-2-enol with thionyl chloride. The process involves the dehydration of the alcohol to form the enol, which then reacts with thionyl chloride to produce the chloride. This method provides good yield and selectivity under mild conditions.

What industries use 3-ethoxyprop-2-enoyl chloride (CAS: 99471-66-6)?

3-ethoxyprop-2-enoyl chloride finds application in various industries, including pharmaceuticals, where it is used as an intermediate in drug synthesis; in polymers for its ability to enhance certain properties; and in sensors and semiconductors for its reactivity and functionality.

What precautions should be taken when handling 3-ethoxyprop-2-enoyl chloride (CAS: 99471-66-6)?

When handling 3-ethoxyprop-2-enoyl chloride, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be neutralized with an appropriate base and the area should be thoroughly rinsed. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and recommended procedures.