5-BENZYL-3-MERCAPTO-5H-1,2,4-TRIAZINO[5,6-B]INDOLE

Base Information

• Chemical Name: 5-BENZYL-3-MERCAPTO-5H-1,2,4-TRIAZINO[5,6-B]INDOLE
• CAS No.: 36047-60-6
• Molecular Formula: C16H12N4S
• Molecular Weight: 292.364
• Hs Code.: 2933990090
• Mol file: 36047-60-6.mol

Synonyms:5-benzyl-2,4-diphenyl-octahydro-thiochromene;5-benzyl-2,4-dipiperidino-pyrimidine;2H-1-Benzothiopyran,octahydro-2,4-diphenyl-5-(phenylmethyl);5-benzyl-2,5-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione;

Chemical Property of 5-BENZYL-3-MERCAPTO-5H-1,2,4-TRIAZINO[5,6-B]INDOLE

Chemical Property:

• Melting Point: 263-265 °C
• Boiling Point: 520.6±52.0 °C(Predicted)
• PKA: 8.92±0.20(Predicted)
• PSA: 82.40000
• Density: 1.39±0.1 g/cm3(Predicted)
• LogP: 3.31650

Purity/Quality:

98%min ^*data from raw suppliers

5-Benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-BENZYL-3-MERCAPTO-5H-1,2,4-TRIAZINO[5,6-B]INDOLE

There total 6 articles about 5-BENZYL-3-MERCAPTO-5H-1,2,4-TRIAZINO[5,6-B]INDOLE 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: 81.0%

1-benzylisatin (1217-89-6) + thiosemicarbazide (79-19-6) → 5-benzyl-1,2,4-triazino[5,6-b]indole-3-thiol (36047-60-6)

Guidance literature:

With potassium carbonate; for 0.5h; microwave irradiation;

DOI:10.1055/s-2004-815437

Reference yield: 64.0%

1-benzyl-isatin-3-thiosemicarbazone (112367-62-1) → 5-benzyl-1,2,4-triazino[5,6-b]indole-3-thiol (36047-60-6)

Guidance literature:

With potassium carbonate; microwave irradiation;

DOI:10.1055/s-2004-815437

Reference yield:

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) → 5-benzyl-1,2,4-triazino[5,6-b]indole-3-thiol (36047-60-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 20 °C

2: potassium carbonate / water / Reflux

With potassium carbonate; In water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2013.11.018

upstream raw materials:

1-benzylisatin

thiosemicarbazide

1-benzyl-isatin-3-thiosemicarbazone

indole-2,3-dione

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