Triflubazam

Base Information

• Chemical Name: Triflubazam
• CAS No.: 22365-40-8
• Molecular Formula: C17H13 F3 N2 O2
• Molecular Weight: 334.298
• Hs Code.: 2933990090
• UNII: 80D8H0388T
• DSSTox Substance ID: DTXSID40176899
• Nikkaji Number: J11.503G
• Wikipedia: Triflubazam
• Wikidata: Q7841496
• NCI Thesaurus Code: C152743
• ChEMBL ID: CHEMBL2107285
• Mol file: 22365-40-8.mol

Synonyms:1-methyl-5-phenyl-7-trifluoromethyl-(1H)-1,5-benzodiazepine-2,4-(3H,5H)dione;ORF 8063;ORF-8063;triflubazam;WE 352;WE-352

Chemical Property of Triflubazam

Chemical Property:

• Vapor Pressure: 2.38E-14mmHg at 25°C
• Boiling Point: 599.9°Cat760mmHg
• PKA: 7.80±0.20(Predicted)
• Flash Point: 316.6°C
• PSA: 40.62000
• Density: 1.354g/cm³
• LogP: 3.86660
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 334.09291215
• Heavy Atom Count: 24
• Complexity: 503

Purity/Quality:

98%min ^*data from raw suppliers

TRIFLUBAZAM 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)C(F)(F)F)C3=CC=CC=C3
• Uses: Tranquilizer (minor).

Technology Process of Triflubazam

There total 4 articles about Triflubazam 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:

α,α,α-Trifluoro-N-methyl-6-nitro-p-toluidine (20200-22-0) → triflubazam (22365-40-8)

Guidance literature:

Multi-step reaction with 3 steps

2: tetrahydrofuran

3: copper diacetate / dichloromethane

With copper diacetate; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmcl.2010.10.131

Reference yield:

N1-methyl-4-(trifluoromethyl)benzene-1,2-diamine (35203-49-7) → triflubazam (22365-40-8)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran

2: copper diacetate / dichloromethane

With copper diacetate; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmcl.2010.10.131

Reference yield:

triphenylbismuthane (603-33-8) + 1-methyl-7-trifluoromethyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione (61352-54-3) → triflubazam (22365-40-8)

Guidance literature:

With copper diacetate; In dichloromethane;

DOI:10.1016/j.bmcl.2010.10.131

upstream raw materials:

α,α,α-Trifluoro-N-methyl-6-nitro-p-toluidine

N¹-methyl-4-(trifluoromethyl)benzene-1,2-diamine

triphenylbismuthane

1-methyl-7-trifluoromethyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione