Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-selone, 9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, (S)-

Base Information

Chemical Name:Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-selone, 9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, (S)-
CAS No.:136722-85-5
Molecular Formula:C16H19ClN3Se
Molecular Weight:367.7552
Hs Code.:
DSSTox Substance ID:DTXSID80159904
Nikkaji Number:J449.399K
Mol file:136722-85-5.mol

Synonyms:136722-85-5;Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-selone, 9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, (S)-;Imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-selone, 9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, (S)-;DTXSID80159904;chloro-methyl-(3-methylbut-2-enyl)[?]selenol;[5S,(+)]-9-Chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo[4,5,1-jk][1,4]benzodiazepine-2-selenol

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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 Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-selone, 9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, (S)-

Chemical Property:

Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:368.04327
Heavy Atom Count:21
Complexity:412

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1CN2C3=C(CN1CC=C(C)C)C=C(C=C3N=C2[Se])Cl
Isomeric SMILES:C[C@H]1CN2C3=C(CN1CC=C(C)C)C=C(C=C3N=C2[Se])Cl

Technology Process of Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-selone, 9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, (S)-

There total 2 articles about Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-selone, 9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, (S)- 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: 64.0%

: 131645-83-5
(S)-2,9-dichloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo<4,5,1-jk><1,4>benzodiazepine

: 136722-85-5
(+)-(S)-9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo(4,5,1-jk)[1,4]benzodiazepine-2(1H)-selenone

Guidance literature:: With selenourea; In ethanol; at 95 ℃; for 24h;
DOI:10.1021/jm00115a007

Reference yield:

: 131645-82-4
(S)-4-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one

: 136722-85-5
(+)-(S)-9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo(4,5,1-jk)[1,4]benzodiazepine-2(1H)-selenone

Guidance literature:: Multi-step reaction with 2 steps

1: POCl₃, Na₂CO₃ / 28 h / 95 °C

2: 64 percent / selenourea / ethanol / 24 h / 95 °C

With selenourea; sodium carbonate; trichlorophosphate; In ethanol;
DOI:10.1021/jm00115a007