Thiazolo[3,2-b][1,2,4]triazol-6-one, 5-benzylidene-2-phenyl-

Base Information

• Chemical Name: Thiazolo[3,2-b][1,2,4]triazol-6-one, 5-benzylidene-2-phenyl-
• CAS No.: 58755-07-0
• Molecular Formula: C₁₇H₁₁N₃OS
• Molecular Weight: 305.36
• NSC Number: 282469
• Nikkaji Number: J1.257.831H
• Mol file: 58755-07-0.mol

Synonyms:NSC282469;NSC-282469;VEBNZNYQRULYBZ-KAMYIIQDSA-N;HMS1486J20;AKOS001660969;IDI1_022704;SR-01000112492;SR-01000112492-1;Z57785062;2-Phenyl-5-benzylidenethiazolo[3,2-b][1,2,4]triazole-6(5H)-one;Thiazolo[3,2-b][1,2,4]triazol-6-one, 5-benzylidene-2-phenyl-

Chemical Property of Thiazolo[3,2-b][1,2,4]triazol-6-one, 5-benzylidene-2-phenyl-

Chemical Property:

• Vapor Pressure: 1.6E-11mmHg at 25°C
• Boiling Point: 535°Cat760mmHg
• Flash Point: 277.4°C
• Density: 1.36g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 305.06228316
• Heavy Atom Count: 22
• Complexity: 455

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CC=C4)S2
• Isomeric SMILES: C1=CC=C(C=C1)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=CC=C4)S2

Technology Process of Thiazolo[3,2-b][1,2,4]triazol-6-one, 5-benzylidene-2-phenyl-

There total 5 articles about Thiazolo[3,2-b][1,2,4]triazol-6-one, 5-benzylidene-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: 75.0%

benzaldehyde (100-52-7) + chloroacetic acid (79-11-8) + 5-phenyl-4H-1,2,4-triazol-3-thiol (3414-94-6) → 5-benzylidene-2-phenyl-thiazolo[3,2-b][1,2,4]triazol-6-one (58755-07-0)

Guidance literature:

With sodium acetate; acetic anhydride; acetic acid; Heating;

Reference yield: 29.0%

benzaldehyde (100-52-7) + chloroacetic acid (79-11-8) + 3-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione (3414-94-6) → 5-benzylidene-2-phenyl-thiazolo[3,2-b][1,2,4]triazol-6-one (58755-07-0)

Guidance literature:

With sodium acetate; acetic anhydride; In acetic acid; for 6h; Heating;

Reference yield:

benzoyl thiosemicarbazide (5351-66-6) → 5-benzylidene-2-phenyl-thiazolo[3,2-b][1,2,4]triazol-6-one (58755-07-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. KOH (10 percent) / 3 h / Heating

2: 29 percent / Ac₂O; NaOCOCH₃ / acetic acid / 6 h / Heating

With potassium hydroxide; sodium acetate; acetic anhydride; In acetic acid; 1: Cyclization / 2: Cyclization;

upstream raw materials:

benzaldehyde

chloroacetic acid

5-phenyl-4H-1,2,4-triazol-3-thiol

3-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione