1H-Pyrido(4,3-b)indole, 2,3,4,4a-alpha,5,9b-alpha-hexahydro-2-phenethyl-5-propionyl-

Base Information

Chemical Name:1H-Pyrido(4,3-b)indole, 2,3,4,4a-alpha,5,9b-alpha-hexahydro-2-phenethyl-5-propionyl-
CAS No.:62018-31-9
Molecular Formula:C₂₂H₂₆N₂O
Molecular Weight:334.461
Hs Code.:
DSSTox Substance ID:DTXSID20211070
Nikkaji Number:J85.801C
Wikidata:Q76151160
ChEMBL ID:CHEMBL352373

Synonyms:1H-Pyrido(4,3-b)indole, 2,3,4,4a-alpha,5,9b-alpha-hexahydro-2-phenethyl-5-propionyl-;2-Phenethyl-5-propionyl-2,3,4,4a-alpha,5,9b-alpha-hexahydro-1H-pyrido(4,3-b)indole;62018-31-9;CHEMBL352373;C22H27N2O;DTXSID20211070;C22-H27-N2-O;LS-133540;2,3,4,4aalpha,5,9balpha-Hexahydro-2-phenethyl-5-propionyl-1H-pyrido[4,3-b]indole

Suppliers and Price of 1H-Pyrido(4,3-b)indole, 2,3,4,4a-alpha,5,9b-alpha-hexahydro-2-phenethyl-5-propionyl-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
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Total 0 raw suppliers

Chemical Property of 1H-Pyrido(4,3-b)indole, 2,3,4,4a-alpha,5,9b-alpha-hexahydro-2-phenethyl-5-propionyl-

Chemical Property:

Vapor Pressure:1.14E-10mmHg at 25°C
Boiling Point:513.9°C at 760 mmHg
Flash Point:222.6°C
Density:1.119g/cm³
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:334.204513457
Heavy Atom Count:25
Complexity:459

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(=O)N1C2CCN(CC2C3=CC=CC=C31)CCC4=CC=CC=C4
Isomeric SMILES:CCC(=O)N1[C@@H]2CCN(C[C@@H]2C3=CC=CC=C31)CCC4=CC=CC=C4

Technology Process of 1H-Pyrido(4,3-b)indole, 2,3,4,4a-alpha,5,9b-alpha-hexahydro-2-phenethyl-5-propionyl-

There total 2 articles about 1H-Pyrido(4,3-b)indole, 2,3,4,4a-alpha,5,9b-alpha-hexahydro-2-phenethyl-5-propionyl- 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: 69.0%

: 79-03-8
propionyl chloride

: 62018-28-4
(4aS,9bR)-2-Phenethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole

: 62018-27-3,62018-31-9
(4aα,9bα)-2,3,4,4a,5,9b-hexahydro-5-(1-oxopropyl)-2-(2-phenylethyl)-1H-pyrido<4,3-b>indole

Guidance literature:: In dichloromethane; for 0.666667h; Ambient temperature;
DOI:10.1021/jm00133a017

Reference yield:

: 6208-44-2
2-(2-phenylethyl)-1,2,3,4-tetrahydropyrido<4,3-b>indole

: 62018-27-3,62018-31-9
(4aα,9bα)-2,3,4,4a,5,9b-hexahydro-5-(1-oxopropyl)-2-(2-phenylethyl)-1H-pyrido<4,3-b>indole

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / BH₃*THF, TFA / 1.5 h / Ambient temperature

2: 69 percent / CH₂Cl₂ / 0.67 h / Ambient temperature

With borane-THF; trifluoroacetic acid; In dichloromethane;
DOI:10.1021/jm00133a017