2-Methyl-7-phenyl-2H-1,2,4-triazepine-3,5(4H,6H)-dithione

Base Information

Chemical Name:2-Methyl-7-phenyl-2H-1,2,4-triazepine-3,5(4H,6H)-dithione
CAS No.:170033-45-1
Molecular Formula:C11H11N3S2
Molecular Weight:249.36
Hs Code.:
DSSTox Substance ID:DTXSID60571382
Nikkaji Number:J697.334E
Mol file:170033-45-1.mol

Synonyms:170033-45-1;2-Methyl-7-phenyl-2H-1,2,4-triazepine-3,5(4H,6H)-dithione;DTXSID60571382

Suppliers and Price of 2-Methyl-7-phenyl-2H-1,2,4-triazepine-3,5(4H,6H)-dithione

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 2-Methyl-7-phenyl-2H-1,2,4-triazepine-3,5(4H,6H)-dithione

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:249.03943971
Heavy Atom Count:16
Complexity:332

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=S)NC(=S)CC(=N1)C2=CC=CC=C2

Technology Process of 2-Methyl-7-phenyl-2H-1,2,4-triazepine-3,5(4H,6H)-dithione

There total 2 articles about 2-Methyl-7-phenyl-2H-1,2,4-triazepine-3,5(4H,6H)-dithione 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:

: 76595-02-3
2-methyl-5-oxo-7-phenyl-3-thioxo-3,4,5,6-tetrahydro-2H-1,2,4-triazepine

: 170033-45-1
2-methyl-7-phenyl-3,5-dithioxo-3,4,5,6-tetrahydro-2H-1,2,4-triazepine

Guidance literature:: With diphosphorus pentasulfide; In acetonitrile;
DOI:10.1107/S0108270195001314

Reference yield:

: 100706-03-4
3-(2-methyl-thiosemicarbazono)-3-phenyl-propionic acid ethyl ester

: 170033-45-1
2-methyl-7-phenyl-3,5-dithioxo-3,4,5,6-tetrahydro-2H-1,2,4-triazepine

Guidance literature:: Multi-step reaction with 2 steps

1: sodium / propan-2-ol / Ambient temperature

2: phosphorus pentasulfide / acetonitrile

With diphosphorus pentasulfide; sodium; In isopropyl alcohol; acetonitrile;
DOI:10.1107/S0108270195001314

Reference yield: 90.0%

: 74-83-9
methyl bromide

: 170033-45-1
2-methyl-7-phenyl-3,5-dithioxo-3,4,5,6-tetrahydro-2H-1,2,4-triazepine

: 177534-54-2
2-Methyl-3,5-bis-methylsulfanyl-7-phenyl-2H-[1,2,4]triazepine

Guidance literature:: With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In benzene; for 6h; Ambient temperature;
DOI:10.1016/S0040-4039(97)00290-6