3-(2-Bromopropanoyl)spiro[1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one | CAS No. 158299-05-9

3-(2-Bromopropanoyl)spiro[1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one

Basic Information

CAS Number

158299-05-9

Molecular Formula

C16H18BrNO3

Molecular Weight

352.23 g/mol

AD

Basic Physical Properties

Boiling Point

485℃ at 760 mmHg

CC(C(=O)N1C(=O)C2=CC=CC=C2OC13CCCCC3)Br

InChI

InChI=1S/C16H18BrNO3/c1-11(17)14(19)18-15(20)12-7-3-4-8-13(12)21-16(18)9-5-2-6-10-16/h3-4,7-8,11H,2,5-6,9-10H2,1H3

InChIKey

APCHXTHKSJHPPE-UHFFFAOYSA-N

LogP

3.4916000000000027

Topological Polar Surface Area

46.61 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

433

Synonyms & References

English

  • DS-18525
  • DTXSID60438380
  • D70521
  • 3-(2-Bromo-1-oxypropyl)spiro[2H-1,3-oxybenzodiazine-2,1 inverted exclamation mark cyclohexane]-4(3H)-one
  • 3-(2-Bromopropanoyl)spiro[benzo[e][1,3]oxazine-2,1 inverted exclamation mark -cyclohexan]-4(3H)-one
  • AC-5314
  • A809919
  • CS-0154983
  • FT-0654044
  • 3-(2-Bromopropanoyl)spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one
  • FT-0699996
  • SCHEMBL7504135
  • AKOS015908735
  • BCP12972
  • 3-(2-Bromo-1-oxopropyl)-spiro[2H-1,3-benzoxazine-2,1/'-cyclohexan]-4(3H)-one
  • 3-(2-Bromo-1-oxopropyl)-spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one
  • 158299-05-9
  • 3-(2-Bromopropanoyl)spiro[benzo[e][1,3]-oxazine-2,1'-cyclohexan]-4(3H)-one
  • AM84520
  • 3-(2-bromopropanoyl)spiro[1,3-benzoxazine-2,1'-cyclohexane]-4-one
  • C16H18BrNO3
  • 3-(2-bromopropionyl)-spiro[2,3-dihydro-4H-1,3-benzoxazine-2,1'-cyclohexan]-4-one
  • SY108444
  • 3-(2-bromo-1-oxopropyl)spiro[2h-1,3-benzoxazine-2,1'-cyclohexan]-4(3h)-one
  • MFCD08458252
  • APCHXTHKSJHPPE-UHFFFAOYSA-N
  • J-510488
  • 3-(2-Bromopropanoyl)spiro[1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one
  • Spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one, 3-(2-bromo-1-oxopropyl)-
  • BPSBC
  • BR-Comp

MDL Number

MFCD27945664

Customs Code

2934999090

FAQ

What is 3-(2-Bromopropanoyl)spiro[1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one (CAS: 158299-05-9)?

3-(2-Bromopropanoyl)spiro[1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one (CAS: 158299-05-9) is an organic compound characterized by a spiro junction between a benzoxazine and a cyclohexane ring. It contains a bromine atom attached to a propanoyl group, making it a brominated derivative with potential applications in organic synthesis. This compound is typically used as an intermediate in the development of pharmaceuticals and specialty chemicals.

What are the main uses of 3-(2-Bromopropanoyl)spiro[1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one (CAS: 158299-05-9)?

This compound is primarily used in pharmaceutical research for the synthesis of bioactive molecules, particularly those with potential therapeutic applications. It also serves as an intermediate in the production of specialty chemicals and materials. Due to its structural complexity, it is valued in chemical research for developing new compounds with tailored properties.

Is 3-(2-Bromopropanoyl)spiro[1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one (CAS: 158299-05-9) safe?

Safety of 3-(2-Bromopropanoyl)spiro[1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one (CAS: 158299-05-9) depends on its handling and application. As a brominated compound, it may exhibit reactivity that requires proper protective measures. Always follow safety guidelines when working with this chemical, including the use of gloves, goggles, and a fume hood. Environmental and health impacts should be assessed based on exposure levels and specific usage scenarios.

How should 3-(2-Bromopropanoyl)spiro[1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one (CAS: 158299-05-9) be stored?

3-(2-Bromopropanoyl)spiro[1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one (CAS: 158299-05-9) should be stored in a cool, dry, and well-ventilated area, away from direct light. It is recommended to keep it in a sealed container to prevent moisture absorption and contamination. Proper storage ensures stability and minimizes the risk of chemical degradation or reaction.

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