2-bromo-4-(2,7,7-trimethyl-5-oxo-3,4,5,6,7,8-hexahydro-1H-pyrido[3,4-b]indol-9(2H)-yl)benzonitrile

Base Information

Chemical Name:2-bromo-4-(2,7,7-trimethyl-5-oxo-3,4,5,6,7,8-hexahydro-1H-pyrido[3,4-b]indol-9(2H)-yl)benzonitrile
CAS No.:1595028-87-7
Molecular Formula:C₂₁H₂₂BrN₃O
Molecular Weight:412.329
Hs Code.:

Synonyms:2-bromo-4-(2,7,7-trimethyl-5-oxo-3,4,5,6,7,8-hexahydro-1H-pyrido[3,4-b]indol-9(2H)-yl)benzonitrile

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Chemical Property of 2-bromo-4-(2,7,7-trimethyl-5-oxo-3,4,5,6,7,8-hexahydro-1H-pyrido[3,4-b]indol-9(2H)-yl)benzonitrile

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Technology Process of 2-bromo-4-(2,7,7-trimethyl-5-oxo-3,4,5,6,7,8-hexahydro-1H-pyrido[3,4-b]indol-9(2H)-yl)benzonitrile

There total 2 articles about 2-bromo-4-(2,7,7-trimethyl-5-oxo-3,4,5,6,7,8-hexahydro-1H-pyrido[3,4-b]indol-9(2H)-yl)benzonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 73.0%

: 36282-26-5
2-bromo-4-fluorobenzonitrile

: 66842-74-8
2,7,7-trimethyl-3,4,6,7,8,9-hexahydro-1H-pyrido[3,4-b]indol-5(2H)-one

: 1595028-87-7
2-bromo-4-(2,7,7-trimethyl-5-oxo-3,4,5,6,7,8-hexahydro-1H-pyrido[3,4-b]indol-9(2H)-yl)benzonitrile

Guidance literature:: 2,7,7-trimethyl-3,4,6,7,8,9-hexahydro-1H-pyrido[3,4-b]indol-5(2H)-one; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; for 0.0833333h;

2-bromo-4-fluorobenzonitrile; In N,N-dimethyl-formamide; mineral oil; at 150 ℃; for 0.166667h;
DOI:10.1021/jm500042s

Reference yield:

: 20955-75-3
6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one

: 1595028-87-7
2-bromo-4-(2,7,7-trimethyl-5-oxo-3,4,5,6,7,8-hexahydro-1H-pyrido[3,4-b]indol-9(2H)-yl)benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: acetic acid / water / 24.5 h / 20 °C / Inert atmosphere

1.2: 0.08 h / 70 °C

1.3: 24 h / 25 °C / 760.05 Torr

2.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.08 h

2.2: 0.17 h / 150 °C

With sodium hydride; acetic acid; In water; N,N-dimethyl-formamide; mineral oil;
DOI:10.1021/jm500042s

Reference yield:

: 21926-00-1
4-tetrahydrothiopyranylamine

: 1595028-87-7
2-bromo-4-(2,7,7-trimethyl-5-oxo-3,4,5,6,7,8-hexahydro-1H-pyrido[3,4-b]indol-9(2H)-yl)benzonitrile

: C₂₆H₃₂N₄OS

Guidance literature:: With 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate; sodium t-butanolate; In toluene; at 110 ℃; for 0.333333h; Inert atmosphere; Microwave irradiation;
DOI:10.1021/jm500042s