1585969-16-9

Basic information

• Product Name: (6S,12aR)-3,10-dibromo-6-phenyl-12,12a-dihydro-6H-benzo[5,6][1,3]oxazino[3,4-a]indole
• Synonyms: (6S,12aR)-3,10-dibromo-6-phenyl-12,12a-dihydro-6H-benzo[5,6][1,3]oxazino[3,4-a]indole;6H-Indolo[1,2-c][1,3]benzoxazine, 3,10-dibromo-12,12a-dihydro-6-phenyl-, (6S,12aR)-;(6S,12aR)-3,10-Dibromo-12,12a-dihydro-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine
• CAS NO: 1585969-16-9
• Molecular Formula: C₂₁H₁₅Br₂NO
• Molecular Weight: 457.1579
• Mol File: 1585969-16-9.mol

Chemical Properties

• Boiling Point: 539.9±50.0 °C(Predicted)
• Appearance: /
• Density: 1.75±0.1 g/cm3(Predicted)
• PKA: 1.47±0.40(Predicted)
• CAS DataBase Reference: (6S,12aR)-3,10-dibromo-6-phenyl-12,12a-dihydro-6H-benzo[5,6][1,3]oxazino[3,4-a]indole(CAS DataBase Reference)
• NIST Chemistry Reference: (6S,12aR)-3,10-dibromo-6-phenyl-12,12a-dihydro-6H-benzo[5,6][1,3]oxazino[3,4-a]indole(1585969-16-9)
• EPA Substance Registry System: (6S,12aR)-3,10-dibromo-6-phenyl-12,12a-dihydro-6H-benzo[5,6][1,3]oxazino[3,4-a]indole(1585969-16-9)

Safety Data

• Hazardous Substances Data: 1585969-16-9(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Applications:
(6S,12aR)-3,10-dibromo-6-phenyl-12,12a-dihydro-6H-benzo[5,6][1,3]oxazino[3,4-a]indole is used as a potential pharmaceutical candidate for various therapeutic applications due to its diverse structural features and the presence of bromine atoms. Its biological activities and potential therapeutic uses remain to be explored, making it a subject of interest for further studies in the field of organic chemistry and drug discovery.
Used in Synthetic Chemistry Research:
(6S,12aR)-3,10-dibromo-6-phenyl-12,12a-dihydro-6H-benzo[5,6][1,3]oxazino[3,4-a]indole is used as a target compound in synthetic chemistry research due to its unique fused ring system and the presence of bromine atoms. (6S,12aR)-3,10-dibromo-6-phenyl-12,12a-dihydro-6H-benzo[5,6][1,3]oxazino[3,4-a]indole offers opportunities for the development of novel synthetic methods and the exploration of its chemical properties.
Used in Medicinal Chemistry Research:
(6S,12aR)-3,10-dibromo-6-phenyl-12,12a-dihydro-6H-benzo[5,6][1,3]oxazino[3,4-a]indole is used as a subject of interest in medicinal chemistry research for the discovery of new therapeutic agents. Its unique structure and potential biological activities make it a promising candidate for the development of novel drugs with potential applications in various medical fields.

Upstream product

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Downstream Products

• 1392102-38-3 (S)-3,10-dibromo-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]-indole 
• 1585969-26-1 (2S,2'S)-di-tert-butyl 2,2'-(5,5'-((S)-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole-3,10-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-1-carboxylate) 4-nitrobenzoic acid 
• 1585969-27-2 6-phenyl-3,10-bis(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole 
• 1370468-36-2 N,N'-[[(6S)-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine-3,10-diyl]bis[1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl-[(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis[carbamic acid] C,C'-dimethyl ester 
• 1392102-37-2 (R)-3,10-dibromo-6-phenyl-6H-benzo[5,6][1,3]oxazino[3,4-a]-indole 

Relevant articles and documents

PROCESS FOR PREPARING SUBSTITUTED INDOLE COMPOUNDS

The present invention is directed to a process for preparing Substituted Indole Compounds of Formula (I): wherein R1, R2, R3 and R4 are as defined herein. These indole compounds are useful as synthetic intermediates for making inhibitors of HCV NS5A.

PROCESS FOR PREPARING TETRACYCLIC HETEROCYCLE COMPOUNDS

The present invention is directed to a process for preparing Tetracyclic Heterocycle Compounds of formula (I): which are useful as HCV NS5A inhibitors. The present invention is also directed to compounds that are useful as synthetic intermediates for making the compounds of formula (I).

Asymmetric synthesis of cyclic indole aminals via 1,3-stereoinduction

A general and efficient asymmetric synthesis of cyclic indoline aminals was developed with a high level of 1,3-stereoinduction through a dynamic crystallization-driven condensation. Dehydrogenation of the indoline aminals with potassium permanganate produced the corresponding cyclic indole aminals in high yields and excellent enantioselectivities. This general methodology was successfully applied to the synthesis of a wide variety of chiral cyclic indoline aminals and indole aminals with aromatic and aliphatic functional groups.

Enantioselective synthesis of an HCV NS5a antagonist

A concise, enantioselective synthesis of the HCV NS5a inhibitor MK-8742 (1) is reported. The features of the synthesis include a highly enantioselective transfer hydrogenation of an NH imine and a dynamic diastereoselective transformation. The synthesis of this complex target requires simple starting materials and nine linear steps for completion.