3-[2-(1,3-Dioxolan-2-yl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one | CAS No. 866462-51-3

3-[2-(1,3-Dioxolan-2-yl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one

Basic Information

CAS Number

866462-51-3

Molecular Formula

C17H23NO5

Molecular Weight

321.37 g/mol

AD

Basic Physical Properties

Boiling Point

505.966°C at 760 mmHg

Density

1.173

Flash Point

259.799°C

Refractive Index

1.529

COC1=C(C=C2CC(=O)N(CCC2=C1)CCC3OCCO3)OC

InChI

InChI=1S/C17H23NO5/c1-20-14-9-12-3-5-18(6-4-17-22-7-8-23-17)16(19)11-13(12)10-15(14)21-2/h9-10,17H,3-8,11H2,1-2H3

InChIKey

WBLSXQWVJABURL-UHFFFAOYSA-N

LogP

1.3939999999999995

Topological Polar Surface Area

57.230000000000004 Ų

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

398

Synonyms & References

English

  • UNII-62URK35PX7
  • 2H-3-Benzazepin-2-one, 3-(2-(1,3-dioxolan-2-yl)ethyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-
  • AKOS015917687
  • 3-(2-(1,3-dioxolan-2-yl)ethyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-benzo[d]azepin-2-one
  • 866462-51-3
  • 2H-3-Benzazepin-2-one, 3-[2-(1,3-dioxolan-2-yl)ethyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-
  • DTXSID30467905
  • 3-[2-(1,3-dioxolan-2-yl)ethyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-2-one
  • 3-[2-(1,3-Dioxolan-2-yl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one
  • 62URK35PX7
  • WBLSXQWVJABURL-UHFFFAOYSA-N
  • 3-(2-(1,3-Dioxolan-2-yl)ethyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-2H-3-benzazepin-2-one
  • SCHEMBL2443618
  • AM20090718
  • 3-(2-(1,3-Dioxolan-2-yl)ethyl)-7,8-dimethoxy-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one
  • 3-[2-(1,3-Dioxolan-2-yl)-ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one
  • 3-[2-(1,3-dioxolan-2-yl)ethyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one

MDL Number

MFCD12963833

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-[2-(1,3-Dioxolan-2-yl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one (CAS: 866462-51-3)?

3-[2-(1,3-Dioxolan-2-yl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one (CAS: 866462-51-3) is a crystalline compound with a molecular weight of approximately 352.35 g/mol. It has limited water solubility, making it suitable for organic solvents like ethanol or acetone. Chemically, it's a stable compound, but it reacts readily with strong acids and bases. It exhibits moderate reactivity in organic synthesis and is often used as a functional group in organic chemistry.

How is 3-[2-(1,3-Dioxolan-2-yl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one (CAS: 866462-51-3) typically synthesized?

3-[2-(1,3-Dioxolan-2-yl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one (CAS: 866462-51-3) is often synthesized via multistep organic reactions. The key steps include the formation of a dioxolane ring, followed by the introduction of the methoxy groups and the 1,3,4,5-tetrahydro-2H-3-benzazepin-2-one structure. This compound is typically prepared using appropriate reagents and catalysts under mild conditions to achieve high yield and selectivity.

What industries use 3-[2-(1,3-Dioxolan-2-yl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one (CAS: 866462-51-3)?

3-[2-(1,3-Dioxolan-2-yl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one (CAS: 866462-51-3) is primarily used in the pharmaceutical industry as a precursor for drug synthesis. It also finds applications in sensor technology and semiconductor manufacturing due to its unique chemical properties.

What precautions should be taken when handling 3-[2-(1,3-Dioxolan-2-yl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one (CAS: 866462-51-3)?

When handling 3-[2-(1,3-Dioxolan-2-yl)ethyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one (CAS: 866462-51-3), it is crucial to wear proper personal protective equipment (PPE) including gloves, safety glasses, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling and storage instructions.

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