Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl-

Base Information

Chemical Name:Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl-
CAS No.:85677-83-4
Molecular Formula:C₂₁H₂₁Cl₂N₅S
Molecular Weight:446.403
Hs Code.:
DSSTox Substance ID:DTXSID50234954
Mol file:85677-83-4.mol

Synonyms:BRN 4601886;85677-83-4;Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl-;2-[[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methylsulfanyl]-N,N-dimethylethanamine;N-[2-({[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl}sulfanyl)ethyl]-N,N-dimethylamine;C21H21Cl2N5S;DTXSID50234954;C21-H21-Cl2-N5-S;LS-64917;AE-641/30154011

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Chemical Property of Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl-

Chemical Property:

Vapor Pressure:1.21E-14mmHg at 25°C
Boiling Point:606.2°C at 760 mmHg
Flash Point:320.4°C
PSA：71.61000
Density:1.37g/cm³
LogP:4.15550
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:445.0894723
Heavy Atom Count:29
Complexity:577

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN(C)CCSCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl

Technology Process of Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl-

There total 3 articles about Ethanamine, 2-(((8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepin-1-yl)methyl)thio)-N,N-dimethyl- 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: 84.0%

: 85677-73-2
S-(2-Dimethylaminoethyl)thioacethydrazide

: 2894-71-5,49853-64-7
7-chloro-1,3-dihydro-5-(o-chlorophenyl)-2H-1,4-benzodiazepine-2-thione

: 85677-83-4
{2-[8-Chloro-6-(2-chloro-phenyl)-4H-2,3,5,10b-tetraaza-benzo[e]azulen-1-ylmethylsulfanyl]-ethyl}-dimethyl-amine

Guidance literature:: In butan-1-ol; Heating;
DOI:10.1135/cccc19830123

Reference yield:

: 85677-66-3
Ethyl S-(2-Dimethylaminoethyl)thioacetate

: 85677-83-4
{2-[8-Chloro-6-(2-chloro-phenyl)-4H-2,3,5,10b-tetraaza-benzo[e]azulen-1-ylmethylsulfanyl]-ethyl}-dimethyl-amine

Guidance literature:: Multi-step reaction with 2 steps

1: 100 percent / hydrazine hydrate

2: 84 percent / butan-1-ol / Heating

With hydrazine hydrate; In butan-1-ol;
DOI:10.1135/cccc19830123

Reference yield:

: 2894-67-9
delorazepam

: 85677-83-4
{2-[8-Chloro-6-(2-chloro-phenyl)-4H-2,3,5,10b-tetraaza-benzo[e]azulen-1-ylmethylsulfanyl]-ethyl}-dimethyl-amine

Guidance literature:: Multi-step reaction with 2 steps

1: 65 percent / P₂S₅ / pyridine

2: 84 percent / butan-1-ol / Heating

With tetraphosphorus decasulfide; In pyridine; butan-1-ol;
DOI:10.1135/cccc19830123