Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,3-dihydro-2-thioxo-1H-benzimidazol-5-yl)-6,8-dimethyl-

Base Information

Chemical Name:Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,3-dihydro-2-thioxo-1H-benzimidazol-5-yl)-6,8-dimethyl-
CAS No.:113458-70-1
Molecular Formula:C₁₄H₁₃N₇O₃S
Molecular Weight:359.368
Hs Code.:
DSSTox Substance ID:DTXSID50921074
Mol file:113458-70-1.mol

Synonyms:BRN 5649003;113458-70-1;Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,3-dihydro-2-thioxo-1H-benzimidazol-5-yl)-6,8-dimethyl-;C14H13N7O3S;DTXSID50921074;C14-H13-N7-O3-S;LS-136356;3-Hydroxy-6,8-dimethyl-4a-(2-sulfanyl-1H-benzimidazol-6-yl)-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione

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

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Chemical Property of Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,3-dihydro-2-thioxo-1H-benzimidazol-5-yl)-6,8-dimethyl-

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.86g/cm³
XLogP3:-0.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:359.08005848
Heavy Atom Count:25
Complexity:725

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=NNC(=O)NC2(C(=O)N(C1=O)C)C3=CC4=C(C=C3)NC(=S)N4

Technology Process of Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,3-dihydro-2-thioxo-1H-benzimidazol-5-yl)-6,8-dimethyl-

There total 4 articles about Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,3-dihydro-2-thioxo-1H-benzimidazol-5-yl)-6,8-dimethyl- 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: 80.0%

: 75-15-0,12122-00-8
carbon disulfide

: 113458-67-6
2,3,4,4a,5,6,7,8-Octahydro-4a-(3,4-diaminophenyl)-6,8-dimethylpyrimido<5,4-e><1,2,4>triazine-3,5,7-trione

: 113458-70-1
2,3,4,4a,5,6,7,8-Octahydro-4a-(2-thionobenzimidazol-5-yl)-6,8-dimethylpyrimido<5,4-e><1,2,4>triazine-3,5,7-trione

Guidance literature:: With pyridine; for 2h; Heating;
DOI:10.1007/BF00758763

Reference yield:

: 18969-83-0
2,3,5,6,7,8-hexahydro-6,8-dimethylpyrimido<5,4-e>(1,2,4)-triazine-3,5,7-trione

: 113458-70-1
2,3,4,4a,5,6,7,8-Octahydro-4a-(2-thionobenzimidazol-5-yl)-6,8-dimethylpyrimido<5,4-e><1,2,4>triazine-3,5,7-trione

Guidance literature:: Multi-step reaction with 2 steps

1: 65 percent / conc. HCl / ethanol / 3 h / Heating

2: 80 percent / pyridine / 2 h / Heating

With pyridine; hydrogenchloride; In ethanol;
DOI:10.1007/BF00758763

Reference yield:

: 113458-69-8
2,3,4,4a,5,6,7,8-Octahydro-4a-ethoxy-6,8-dimethylpyrimido<5,4-e><1,2,4>triazine-3,5,7-trione

: 113458-70-1
2,3,4,4a,5,6,7,8-Octahydro-4a-(2-thionobenzimidazol-5-yl)-6,8-dimethylpyrimido<5,4-e><1,2,4>triazine-3,5,7-trione

Guidance literature:: Multi-step reaction with 3 steps

1: P₂O₅ / 4 h / 150 - 155 °C

2: 65 percent / conc. HCl / ethanol / 3 h / Heating

3: 80 percent / pyridine / 2 h / Heating

With pyridine; hydrogenchloride; phosphorus pentoxide; In ethanol;
DOI:10.1007/BF00758763