5-((N,N-Dimethylamino)ethylthio)-8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine

Base Information

Chemical Name:5-((N,N-Dimethylamino)ethylthio)-8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine
CAS No.:153901-48-5
Molecular Formula:C21H22 Cl N5 S
Molecular Weight:411.95
Hs Code.:
DSSTox Substance ID:DTXSID20165483
Nikkaji Number:J563.229C
Mol file:153901-48-5.mol

Synonyms:5-((N,N-dimethylamino)ethylthio)-8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine;RL 236;RL-236

Suppliers and Price of 5-((N,N-Dimethylamino)ethylthio)-8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine

Supply Marketing:

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

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of 5-((N,N-Dimethylamino)ethylthio)-8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine

Chemical Property:

Vapor Pressure:8.17E-13mmHg at 25°C
Boiling Point:565.6°C at 760 mmHg
Flash Point:295.9°C
PSA：63.66000
Density:1.28g/cm³
LogP:4.85090
XLogP3:5.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:411.1284446
Heavy Atom Count:28
Complexity:553

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NN=C2N1C3=C(C=C(C=C3)Cl)N(C(=C2)SCCN(C)C)C4=CC=CC=C4

Technology Process of 5-((N,N-Dimethylamino)ethylthio)-8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine

There total 4 articles about 5-((N,N-Dimethylamino)ethylthio)-8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine 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: 82.0%

: 4584-46-7
(2-chloroethyl)dimethylamine hydrochloride

: 153901-41-8
8-chloro-1-methyl-6-phenyl-4H-<1,2,4>triazolo<4,3-a><1,5>benzodiazepine-5(6H)-thione

: 153901-48-5
RL 236

Guidance literature:: With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In chlorobenzene; Ambient temperature;
DOI:10.1016/0223-5234(93)90088-V

Reference yield:

: 54748-06-0
8-chloro-1-methyl-6-phenyl-4H-<1,2,4>triazolo<4,3-a><1,5>benzodiazepin-5(6H)-one

: 153901-48-5
RL 236

Guidance literature:: Multi-step reaction with 2 steps

1: 78 percent / Lawesson's reagent / various solvent(s) / 0.5 h / 150 °C

2: 82 percent / benzyltriethylammonium chloride (TEBA), 48percent aq. KOH / chlorobenzene / Ambient temperature

With Lawessons reagent; potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In chlorobenzene;
DOI:10.1016/0223-5234(93)90088-V

Reference yield:

: 22316-55-8
N-desmethylclobazam

: 153901-48-5
RL 236

Guidance literature:: Multi-step reaction with 4 steps

1: 70 percent / TiCl₄, anisole / toluene / 6 h / Heating

2: 80 percent / gl. AcOH / various solvent(s) / 2 h / 200 °C

3: 78 percent / Lawesson's reagent / various solvent(s) / 0.5 h / 150 °C

4: 82 percent / benzyltriethylammonium chloride (TEBA), 48percent aq. KOH / chlorobenzene / Ambient temperature

With Lawessons reagent; potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; titanium tetrachloride; acetic acid; methoxybenzene; In chlorobenzene; toluene;
DOI:10.1016/0223-5234(93)90088-V