2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione

Base Information

Chemical Name:2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione
CAS No.:5920-56-9
Molecular Formula:C18H11N5O2S
Molecular Weight:155.2
Hs Code.:2933199090
DSSTox Substance ID:DTXSID50417225
Wikidata:Q82226984
Mol file:5920-56-9.mol

Synonyms:CBMicro_037297;Oprea1_046821;DTXSID50417225;STK030929;2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione;AKOS005380712;CCG-350081;BIM-0037142.P001;SR-01000427082;SR-01000427082-1;2-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)methyl]-1H-isoindole-1,3(2H)-dione

Suppliers and Price of 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione

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

TRC
2-(4-amino-3,5-dimethyl-1H-pyrazol-1-yl)ethanol
100mg
$ 90.00

TRC
2-(4-amino-3,5-dimethyl-1H-pyrazol-1-yl)ethanol
50mg
$ 45.00

Total 3 raw suppliers

Chemical Property of 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione

Chemical Property:

Vapor Pressure:2.14E-16mmHg at 25°C
Boiling Point:642.4°C at 760 mmHg
Flash Point:342.3°C
PSA：117.14000
Density:1.64g/cm³
LogP:2.78980
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:361.06334578
Heavy Atom Count:26
Complexity:566

Purity/Quality:: 2-(4-amino-3,5-dimethyl-1H-pyrazol-1-yl)ethanol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3

Technology Process of 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione

There total 3 articles about 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione 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:

: 1006440-77-2
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethanol

: 5920-56-9
2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-ethanol

Guidance literature:: With hydrogen; platinum(IV) oxide; In ethanol; ethyl acetate; at 20 ℃; for 30h;

Reference yield:

: 14531-55-6
3,5-dimethyl-4-nitro-1H-pyrazole

: 5920-56-9
2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-ethanol

Guidance literature:: Multi-step reaction with 2 steps

1: caesium carbonate / acetonitrile / 3 h / 90 °C / Reflux

2: hydrogen / platinum(IV) oxide / ethyl acetate; ethanol / 30 h / 20 °C

With hydrogen; caesium carbonate; platinum(IV) oxide; In ethanol; ethyl acetate; acetonitrile;