Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-

Base Information

Chemical Name:Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-
CAS No.:257891-65-9
Molecular Formula:C₁₆H₂₀ClN₃S
Molecular Weight:321.874
Hs Code.:
DSSTox Substance ID:DTXSID00869876
Nikkaji Number:J1.178.917J
Mol file:257891-65-9.mol

Synonyms:257891-65-9;5-Chloro-8-methyl-7-(3-methylbut-2-en-1-yl)-6,7,8,9-tetrahydro-2,7,9a-triazabenzo[cd]azulene-1(2H)-thione;Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-;4,5,6,7-Tetrahydro-5alpha-methyl-6-(3-methyl-2-butenyl)-8-chloroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione;Imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione, 8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-;R 86183;TIBO-R 86183;CHEMBL306904;SCHEMBL3145162;DTXSID00869876;BDBM50050814;4,5,6,7-tetrahydro-8-chloro-5-methyl-6-(3-methyl-2-butenyl)-imidazo[4,5,1-jk][1,4]benzodiazepine-2(1h )-thione;8-Chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione

Suppliers and Price of Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 2 raw suppliers

Chemical Property of Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-

Chemical Property:

Vapor Pressure:5.26E-08mmHg at 25°C
Boiling Point:441.9°C at 760 mmHg
Flash Point:221°C
PSA：59.86000
Density:1.3g/cm³
LogP:4.08660
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:321.1066465
Heavy Atom Count:21
Complexity:449

Purity/Quality:: 98%+ ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CN2C3=C(C=CC(=C3CN1CC=C(C)C)Cl)NC2=S

Technology Process of Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-

There total 15 articles about Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)- 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: 54.0%

: 149976-82-9
(S)-6-chloro-2,3,4,5-tetrahydro-3-methyl-4-(3-methyl-2-butenyl)-1H-1,4-benzodiazepin-9-amine

: 6160-65-2
1,1'-Thiocarbonyldiimidazole

: 137332-54-8,257891-65-9
Tivirapine

Guidance literature:: In tetrahydrofuran; for 0.5h; Heating;
DOI:10.1021/jm00005a006

Reference yield:

: 67-66-3,8013-54-5
chloroform

: 149976-82-9
(S)-6-chloro-2,3,4,5-tetrahydro-3-methyl-4-(3-methyl-2-butenyl)-1H-1,4-benzodiazepin-9-amine

: 137332-54-8,257891-65-9
Tivirapine

Guidance literature:: With carbon disulfide; potassium hydroxide; In ethanol; acetonitrile;

Reference yield:

: 137332-58-2
(+)-(S)-6-Chloro-3-methyl-9-nitro-2,3,4,5-tetrahydro-1H-<1,4>benzodiazepine

: 137332-54-8,257891-65-9
Tivirapine

Guidance literature:: Multi-step reaction with 3 steps

1: 1.93 g / Na₂CO₃, KI / dimethylformamide / 16 h / Ambient temperature

2: 1.75 g / LAH / tetrahydrofuran / 8 h / Heating

3: 54 percent / tetrahydrofuran / 0.5 h / Heating

With lithium aluminium tetrahydride; sodium carbonate; potassium iodide; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1021/jm00005a006