4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine

Base Information

Chemical Name:4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine
CAS No.:110766-40-0
Molecular Formula:C₁₇H₁₄ClN₃S
Molecular Weight:327.837
Hs Code.:
DSSTox Substance ID:DTXSID50911854
Mol file:110766-40-0.mol

Synonyms:4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine;1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-9-chloro-5-methyl-1-phenyl-;110766-40-0;DTXSID50911854;LS-156380;9-Chloro-5-methyl-1-phenyl-4,5-dihydro[1,2,4]triazolo[3,4-d][1,5]benzothiazepine

Suppliers and Price of 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine

Supply Marketing:

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

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Chemical Property of 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine

Chemical Property:

Vapor Pressure:1.44E-11mmHg at 25°C
Boiling Point:536.1°Cat760mmHg
Flash Point:278°C
PSA：56.01000
Density:1.39g/cm³
LogP:4.62440
XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:327.0596963
Heavy Atom Count:22
Complexity:390

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC2=NN=C(N2C3=C(S1)C=CC(=C3)Cl)C4=CC=CC=C4

Technology Process of 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine

There total 2 articles about 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine 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%

: 110766-81-9
7-Chloro-2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione

: 613-94-5
benzoic acid hydrazide

: 110766-40-0
9-Chloro-5-methyl-1-phenyl-4,5-dihydro-6-thia-2,3,10b-triaza-benzo[e]azulene

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

Reference yield:

: 110766-89-7
7-Chloro-2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one

: 110766-40-0
9-Chloro-5-methyl-1-phenyl-4,5-dihydro-6-thia-2,3,10b-triaza-benzo[e]azulene

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / Lawesson's reagent / toluene / 1.5 h / 90 - 100 °C

2: 70 percent / butan-1-ol / Heating

With Lawessons reagent; In toluene; butan-1-ol;