5H-1,3,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl-2-phenyl-

Base Information

• Chemical Name: 5H-1,3,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl-2-phenyl-
• CAS No.: 59169-87-8
• Molecular Formula: C15H13N3O
• Molecular Weight: 251.28300
• DSSTox Substance ID: DTXSID20484343
• Nikkaji Number: J1.845.777F

Synonyms:59169-87-8;5H-1,3,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl-2-phenyl-;DTXSID20484343

Chemical Property of 5H-1,3,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl-2-phenyl-

Chemical Property:

• PSA: 50.68000
• LogP: 2.49080
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 251.105862047
• Heavy Atom Count: 19
• Complexity: 374

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)C2=CC=CC=C2N=C(N1)C3=CC=CC=C3

Technology Process of 5H-1,3,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl-2-phenyl-

There total 1 articles about 5H-1,3,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl-2-phenyl- 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:

→ 4-methyl-2-phenyl-3,4-dihydro-benzo[e][1,2,4]triazepin-5-one (59169-87-8)

Guidance literature:

aus 2, Triaethylorthobenzoat;

DOI:10.1021/jo00878a017

Reference yield: 23.0%

4-methyl-2-phenyl-3,4-dihydro-benzo[e][1,2,4]triazepin-5-one (59169-87-8) + ethyl bromo-(4-chlorophenylhydrazono)acetate (58487-95-9) → ethyl 1-(4-chlorophenyl)-5-methyl-6-oxo-11a-phenyl-4,5,11,11a-tetrahydro-6H-[1,2,4]triazolo[3,4-b][1,3,4]benzotriazepine-3-carboxylate

Guidance literature:

With triethylamine; In benzene; at 20 ℃; for 168000h;

DOI:10.1039/b204659h

Reference yield: 18.5%

4-methyl-2-phenyl-3,4-dihydro-benzo[e][1,2,4]triazepin-5-one (59169-87-8) + bromo-p-tolylhydrazono-acetic acid ethyl ester (58670-19-2) → ethyl 5-methyl-6-oxo-11a-phenyl-1-(4-tolyl)-4,5,11,11a-tetrahydro-6H-[1,2,4]triazolo[3,4-b][1,3,4]benzotriazepine-3-carboxylate

Guidance literature:

With triethylamine; In benzene; at 20 ℃; for 168000h;

DOI:10.1039/b204659h

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