4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(3,4-dimethoxyphenyl)-1-((methylthio)methyl)-

Base Information

Chemical Name:4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(3,4-dimethoxyphenyl)-1-((methylthio)methyl)-
CAS No.:115765-00-9
Molecular Formula:C₂₀H₁₉ClN₄O₂S
Molecular Weight:414.915
Hs Code.:
DSSTox Substance ID:DTXSID80151185

Synonyms:BRN 4590495;4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(3,4-dimethoxyphenyl)-1-((methylthio)methyl)-;8-Chloro-6-(3,4-dimethoxyphenyl)-1-(methylthiomethyl)-4H-5-triazolo(4,3-a)-1,4-benzodiazepine;115765-00-9;C20H19ClN4O2S;DTXSID80151185;C20-H19-Cl-N4-O2-S;LS-156335

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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 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(3,4-dimethoxyphenyl)-1-((methylthio)methyl)-

Chemical Property:

Vapor Pressure:3.31E-14mmHg at 25°C
Boiling Point:596.8°C at 760 mmHg
Flash Point:314.7°C
Density:1.38g/cm³
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:414.0917247
Heavy Atom Count:28
Complexity:568

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C2=NCC3=NN=C(N3C4=C2C=C(C=C4)Cl)CSC)OC

Technology Process of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(3,4-dimethoxyphenyl)-1-((methylthio)methyl)-

There total 7 articles about 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(3,4-dimethoxyphenyl)-1-((methylthio)methyl)- 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: 70.0%

: 74085-88-4
ethyl(methylthio)acetic hydrazide

: 115103-03-2
7-chloro-5-(3,4-dimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-thione

: 115765-00-9
8-chloro-6-(3,4-dimethoxyphenyl)-1-(methylthiomethyl)-4H-s-triazolo<4,3-a>-1,4-benzodiazepine

Guidance literature:: In butan-1-ol; Heating;

Reference yield:

: 93-17-4
3,4-dimethoxyphenylacetonitrile

: 115765-00-9
8-chloro-6-(3,4-dimethoxyphenyl)-1-(methylthiomethyl)-4H-s-triazolo<4,3-a>-1,4-benzodiazepine

Guidance literature:: Multi-step reaction with 6 steps

1: 75 percent / KOH / benzene; methanol; H₂O / 3 h / Ambient temperature

2: Fe / ethanol; H₂O; acetic acid / 2 h / Heating

3: 99 percent / CHCl₃

4: 1. N₂H₄; 2. aq. NH₃ / 1. pyridine, ethanol, H₂O, 60 to 65 deg C, 2 h; 2. H₂O, 20 min

5: 78 percent / P₂S₅ / pyridine / 0.75 h / Heating

6: 70 percent / butan-1-ol / Heating

With potassium hydroxide; ammonium hydroxide; tetraphosphorus decasulfide; iron; hydrazine; In pyridine; methanol; ethanol; chloroform; water; acetic acid; butan-1-ol; benzene;

Reference yield:

: 94100-07-9
2-amino-5-chloro-3',4'-dimethoxybenzophenone

: 115765-00-9
8-chloro-6-(3,4-dimethoxyphenyl)-1-(methylthiomethyl)-4H-s-triazolo<4,3-a>-1,4-benzodiazepine

Guidance literature:: Multi-step reaction with 4 steps

1: 99 percent / CHCl₃

2: 1. N₂H₄; 2. aq. NH₃ / 1. pyridine, ethanol, H₂O, 60 to 65 deg C, 2 h; 2. H₂O, 20 min

3: 78 percent / P₂S₅ / pyridine / 0.75 h / Heating

4: 70 percent / butan-1-ol / Heating

With ammonium hydroxide; tetraphosphorus decasulfide; hydrazine; In pyridine; chloroform; butan-1-ol;