(3E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one

Basic Information

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CAS Number

59938-06-6

Molecular Formula

C6H7F3O2

Molecular Weight

168.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

105 ºC

Density

1.191

Flash Point

18 ºC

SMILES

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CCOC=CC(=O)C(F)(F)F

InChI

InChI=1S/C6H7F3O2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2H2,1H3/b4-3+

InChIKey

YKYIFUROKBDHCY-ONEGZZNKSA-N

LogP

1.668

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

160

Synonyms & References

English

3-Buten-2-one, 4-ethoxy-1,1,1-trifluoro-, (3E)-
CS-0198018
EN300-03906
FD2031
AKOS025149133
(3E)-4-ethoxy-1,1,1-trifluoro-3-buten-2-one
17129-06-5
J-515260
(E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
(e)-4-ethoxy-1,1,1-trifluoro-3-buten-2-one (stabilized with bht)
DTXSID801033246
AMY12154
InChI=1/C6H7F3O2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2H2,1H3/b4-3
(3Z)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
(E)-4-ethoxy-1,1,1-trifluoro-3-buten-2-one
ETFBO
CS-17325
EN300-49157
4-Ethoxy-1,1,1-trifluoro-3-buten-2-one, contains 0.5% BHT as stabilizer, technical grade
AKOS000311498
E1088
4-Ethoxy-1,1,1-trifluoro-3-buten-2-one, tech grade
CS-W007845
(3E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
4-Ethoxy-1,1,1-trifluoro-3-buten-2-one
59938-06-6
J-010709
MFCD00192131
NS00077866
4-ethoxy-1,1,1-trifluorobut-3-en-2-one
beta-ethoxyvinyl trifluoromethyl ketone

MDL Number

MFCD00192131

FAQ

What are the physical and chemical properties of (3E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one (CAS: 59938-06-6)?

(3E)-4-Ethoxy-1,1,1-trifluorobut-3-en-2-one is a colorless or white crystalline solid. It has a molecular weight of approximately 185.06 g/mol. This compound is slightly soluble in water but soluble in organic solvents like ethanol and acetone. It is known for its reactivity, particularly in aromatics and alkenes, making it suitable for various chemical transformations.

How is (3E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one (CAS: 59938-06-6) typically synthesized?

(3E)-4-Ethoxy-1,1,1-trifluorobut-3-en-2-one is often synthesized via the reaction of trifluoroacetyl chloride with ethoxyacetic acid, followed by hydrolysis. The reaction is typically catalyzed using a strong base like sodium hydroxide, and the product is isolated by recrystallization from an appropriate solvent. This method provides good yield and selectivity.

What industries use (3E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one (CAS: 59938-06-6)?

(3E)-4-Ethoxy-1,1,1-trifluorobut-3-en-2-one finds applications in pharmaceuticals, where it serves as an intermediate in the synthesis of various drugs. It is also used in the polymer industry for the modification of polymers, and in the semiconductor industry for the production of photoresists. Additionally, it is employed in sensor technology for its reactivity with certain analytes.

What precautions should be taken when handling (3E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one (CAS: 59938-06-6)?

When handling (3E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one, it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always consult the Material Safety Data Sheet (MSDS) for detailed handling and disposal instructions.