2-[(Benzoyloxy)imino]-1-[4-(phenylsulfanyl)phenyl]-1-octanone | CAS No. 253585-83-0

2-[(Benzoyloxy)imino]-1-[4-(phenylsulfanyl)phenyl]-1-octanone

Basic Information

CAS Number

253585-83-0

Molecular Formula

C27H27NO3S

Molecular Weight

445.58 g/mol

AD

Basic Physical Properties

CCCCCCC(=NOC(=O)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C27H27NO3S/c1-2-3-4-11-16-25(28-31-27(30)22-12-7-5-8-13-22)26(29)21-17-19-24(20-18-21)32-23-14-9-6-10-15-23/h5-10,12-15,17-20H,2-4,11,16H2,1H3

InChIKey

LOCXTTRLSIDGPS-UHFFFAOYSA-N

LogP

7.203900000000007

Topological Polar Surface Area

55.73 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

600

Synonyms & References

English

  • 1,2-Octanedione, 1-(4-(phenylthio)phenyl)-, 2-(O-benzoyloxime)
  • [[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate
  • 253585-83-0
  • [(E)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate
  • SB66345
  • 1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime)
  • LOCXTTRLSIDGPS-UHFFFAOYSA-N
  • 1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime)
  • NS00077818
  • 2-((Benzoyloxy)imino)-1-(4-(phenylthio)phenyl)octan-1-one
  • OXE-01
  • 1-(4-phenyl-1,3-thiazol-2-yl)piperazine
  • 1-(4-Phenyl-2-thiazolyl)piperazine
  • 1-(4-Phenylthiazol-2-yl)-piperazin
  • 1-(4-phenyl-thiazol-2-yl)-piperazine
  • 1-(4-phenylthiophenyl)-n-octane-1,2-dione-2-benzoic acid oxime ester
  • 1-[4-(phenylthio)phenyl]-octane-1,2-dione-2-(O-benzoyloxime)
  • 4-phenyl-2-(1-piperazinyl)thiazole
  • 4-phenyl-2-piperazinyl-1,3-thiazole
  • N-(4-phenyl-2-thiazolyl)piperazine

MDL Number

MFCD12911795

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 2-[(Benzoyloxy)imino]-1-[4-(phenylsulfanyl)phenyl]-1-octanone (CAS: 253585-83-0)?

2-[(Benzoyloxy)imino]-1-[4-(phenylsulfanyl)phenyl]-1-octanone has a crystalline form with a molecular weight of approximately 446.4 g/mol. It is slightly soluble in common organic solvents like acetone and dimethylformamide. The compound exhibits limited reactivity, primarily through its carbonyl group for addition reactions and its phenylsulfanyl group for substitution reactions. It is stable under normal conditions but should be stored away from strong acids and bases.

How is 2-[(Benzoyloxy)imino]-1-[4-(phenylsulfanyl)phenyl]-1-octanone (CAS: 253583-83-0) typically synthesized?

2-[(Benzoyloxy)imino]-1-[4-(phenylsulfanyl)phenyl]-1-octanone is synthesized using a condensation reaction of benzoyl chloride with 4-(phenylthio)benzaldehyde and octanoyl chloride. The reaction is catalyzed by a Lewis acid such as aluminum trichloride. The yield is generally high, and the reaction is conducted in a chlorinated solvent under anhydrous conditions to ensure selectivity.

What industries use 2-[(Benzoyloxy)imino]-1-[4-(phenylsulfanyl)phenyl]-1-octanone (CAS: 253585-83-0)?

2-[(Benzoyloxy)imino]-1-[4-(phenylsulfanyl)phenyl]-1-octanone is used in the pharmaceutical industry for the synthesis of certain intermediates and drugs. It also finds applications in the polymer industry for the development of advanced polymers with specific properties. Additionally, it may be used in the sensor industry for its reactivity and in the semiconductor industry for its ability to participate in various chemical reactions.

What precautions should be taken when handling 2-[(Benzoyloxy)imino]-1-[4-(phenylsulfanyl)phenyl]-1-octanone (CAS: 253585-83-0)?

When handling 2-[(Benzoyloxy)imino]-1-[4-(phenylsulfanyl)phenyl]-1-octanone, it is essential to wear appropriate Personal Protective Equipment (PPE), including gloves, goggles, and a lab coat. The substance should be handled in a fume hood to minimize exposure. In case of a spill, neutralize the spill with an appropriate neutralizing agent and then clean up with absorbent material. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and disposal methods.

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