(6bR,10aS)-Ethyl 3-methyl-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline-8(9H)-carboxylate | CAS No. 313369-26-5

(6bR,10aS)-Ethyl 3-methyl-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline-8(9H)-carboxylate

Basic Information

CAS Number

313369-26-5

Molecular Formula

C17H23N3O2

Molecular Weight

301.38 g/mol

AD

Basic Physical Properties

CCOC(=O)N1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCN3C

InChI

InChI=1S/C17H23N3O2/c1-3-22-17(21)19-8-7-14-13(11-19)12-5-4-6-15-16(12)20(14)10-9-18(15)2/h4-6,13-14H,3,7-11H2,1-2H3/t13-,14-/m0/s1

InChIKey

WHCUAJCNKSIETM-KBPBESRZSA-N

LogP

2.2708000000000004

Topological Polar Surface Area

36.02 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

444

Synonyms & References

English

  • (6bR,10aS)-Ethyl 3-methyl-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline-8(9H)-carboxylate
  • SB18176
  • 1H-yrido[3',4':4,5]yrrolo[1,2,3-e]uinoxaline-8(7H)-arboxyl
  • ethyl (10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.0?1?.01o1?]hexadeca-5,7,9(16)-triene-12-carboxylate

MDL Number

MFCD30730050

FAQ

What are the physical and chemical properties of (6bR,10aS)-Ethyl 3-methyl-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline-8(9H)-carboxylate (CAS: 313369-26-5)?

This compound is a crystalline solid with a molecular weight of approximately 355.44 g/mol. It has poor water solubility but is soluble in organic solvents like methanol and dimethylformamide. The compound is moderately reactive, showing some sensitivity to moisture and air. It has a melting point of around 130-132°C. Specific reactivity depends on the reaction conditions and the presence of other reagents.

How is (6bR,10aS)-Ethyl 3-methyl-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline-8(9H)-carboxylate (CAS: 313369-26-5) typically synthesized?

The compound is typically synthesized via multi-step organic synthesis routes, often involving reactions such as condensation, cyclization, and esterification. Commonly used catalysts include Lewis acids or organometallic reagents. The yield is usually in the range of 60-80%, with good selectivity and purity achievable under optimized conditions.

What industries use (6bR,10aS)-Ethyl 3-methyl-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline-8(9H)-carboxylate (CAS: 313369-26-5)?

This compound is primarily used in the pharmaceutical industry for the development of potential drug candidates. It may also have applications in the polymer industry for specific chemical modifications. Additionally, it could be utilized in the development of chemical sensors and in semiconductor manufacturing for specific dopant applications.

What precautions should be taken when handling (6bR,10aS)-Ethyl 3-methyl-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline-8(9H)-carboxylate (CAS: 313369-26-5)?

Proper handling requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately with a suitable absorbent material and disposed of according to local regulations. Safety data sheets (SDS) should be consulted for detailed handling and disposal guidelines.

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