Ethyl gamma-chloro-alpha-oximinoacetoacetate | CAS No. 66338-95-2

Ethyl gamma-chloro-alpha-oximinoacetoacetate

Basic Information

CAS Number

66338-95-2

Molecular Formula

C6H8ClNO4

Molecular Weight

193.58 g/mol

AD

Basic Physical Properties

CCOC(=O)C(=C(CCl)O)N=O

InChI

InChI=1S/C6H8ClNO4/c1-2-12-6(10)5(8-11)4(9)3-7/h9H,2-3H2,1H3/b5-4+

InChIKey

CBVFCYWSRGHDSR-SNAWJCMRSA-N

LogP

1.3243

Topological Polar Surface Area

75.96000000000001 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

214

Synonyms & References

English

  • ETHYL 4-CHLORO-2-(HYDROXYIMINO)-3-OXOBUTANOATE
  • SCHEMBL18501522
  • 66338-95-2
  • SCHEMBL4812377
  • SCHEMBL4807770
  • 50382-11-1
  • DTXSID201250220
  • ethyl gamma-chloro-alpha-oximinoacetoacetate
  • Butanoic acid, 4-chloro-2-(hydroxyimino)-3-oxo-, ethyl ester, (Z)-
  • ethyl (E)-4-chloro-3-hydroxy-2-nitrosobut-2-enoate

FAQ

What are the physical and chemical properties of Ethyl gamma-chloro-alpha-oximinoacetoacetate (CAS: 66338-95-2)?

Ethyl gamma-chloro-alpha-oximinoacetoacetate (CAS: 66338-95-2) is a crystalline solid with a molecular weight of approximately 229.59 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, especially towards nucleophiles and reducing agents. It is stable under normal conditions but should be stored in a cool, dry place to maintain its integrity.

How is ethyl gamma-chloro-alpha-oximinoacetoacetate (CAS: 66338-95-2) typically synthesized?

Ethyl gamma-chloro-alpha-oximinoacetoacetate (CAS: 66338-95-2) is synthesized through a multi-step reaction involving the chlorination of acetoacetic ester followed by cyclization and oximation. Commonly, it is synthesized using acetic anhydride as the starting material, with the use of a catalyst like phosphorus oxychloride. The yield is typically around 75-80%, and the reaction is performed under anhydrous conditions to prevent hydrolysis.

What industries use ethyl gamma-chloro-alpha-oximinoacetoacetate (CAS: 66338-95-2)?

Ethyl gamma-chloro-alpha-oximinoacetoacetate (CAS: 66338-95-2) is utilized in various industries, particularly in pharmaceuticals for intermediates in drug synthesis. It is also used in the production of certain chemical sensors and as a reagent in organic synthesis for its unique functional groups. Its applications in polymers and semiconductors are less common but are explored in specialized research contexts.

What precautions should be taken when handling ethyl gamma-chloro-alpha-oximinoacetoacetate (CAS: 66338-95-2)?

When handling ethyl gamma-chloro-alpha-oximinoacetoacetate (CAS: 66338-95-2), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a fume hood to minimize inhalation risks. In case of a spill, it should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.

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