Benz(cd)indol-2(1H)-one, 2a-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-2a,3,4,5-tetrahydro-

Base Information

Chemical Name:Benz(cd)indol-2(1H)-one, 2a-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-2a,3,4,5-tetrahydro-
CAS No.:201608-41-5
Molecular Formula:C₂₆H₃₀N₂O
Molecular Weight:386.537
Hs Code.:
UNII:27CN8PNO4K
Nikkaji Number:J1.079.944I
Wikidata:Q27077111
Pharos Ligand ID:5DPW2692SBTB
ChEMBL ID:CHEMBL69257

Synonyms:2a-(4-(4-phenyl-1,2,3,6-tetrahydropyridyl)butyl)-2a,3,4,5-tetrahydrobenzo(cd)indol-2(1H)-one;DR-4004;DR4004

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

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Chemical Property of Benz(cd)indol-2(1H)-one, 2a-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-2a,3,4,5-tetrahydro-

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:386.235813585
Heavy Atom Count:29
Complexity:622

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC2=C3C(=CC=C2)NC(=O)C3(C1)CCCCN4CCC(=CC4)C5=CC=CC=C5

Technology Process of Benz(cd)indol-2(1H)-one, 2a-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-2a,3,4,5-tetrahydro-

There total 3 articles about Benz(cd)indol-2(1H)-one, 2a-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-2a,3,4,5-tetrahydro- 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: 56.0%

: 43064-12-6
1,2,3,6-tetrahydro-4-phenylpyridine hydrochloride

: 201609-25-8
2a-(4-bromobutyl)-2a,3,4,5-tetrahydrobenz[cd]indole-2(1H)-one

: 201608-41-5
2a-[4-(4-phenyl-1,2,3,6-tetrahydropyridyl)butyl]-2a,3,4,5-tetrahydrobenz[cd]indole-2(1H)-one

Guidance literature:

Reference yield:

: 10338-69-9
1,2,3,6-tetrahydro-4-phenylpyridine

: 201609-25-8
2a-(4-bromobutyl)-2a,3,4,5-tetrahydrobenz[cd]indole-2(1H)-one

: 201608-41-5
2a-[4-(4-phenyl-1,2,3,6-tetrahydropyridyl)butyl]-2a,3,4,5-tetrahydrobenz[cd]indole-2(1H)-one

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃;
DOI:10.1016/S0960-894X(02)00842-9

Reference yield:

: 96933-21-0
(RS)-2a,3,4,5-tetrahydro-1H-benz[cd]indol-2-one

: 201608-41-5
2a-[4-(4-phenyl-1,2,3,6-tetrahydropyridyl)butyl]-2a,3,4,5-tetrahydrobenz[cd]indole-2(1H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: 54 percent / NaH / dimethylformamide / -40 - 0 °C

2: K₂CO₃ / dimethylformamide / 60 °C

With sodium hydride; potassium carbonate; In N,N-dimethyl-formamide;
DOI:10.1016/S0960-894X(02)00842-9