1,7-(Dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide

Base Information

Chemical Name:1,7-(Dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide
CAS No.:85579-26-6
Molecular Formula:C₅H₄N₂O₃S₂
Molecular Weight:204.23
Hs Code.:2934999090
DSSTox Substance ID:DTXSID20234784
Nikkaji Number:J1.211.893G
Wikidata:Q83116621
Mol file:85579-26-6.mol

Synonyms:1,7-(dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide;HEP-III

Suppliers and Price of 1,7-(Dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide

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 3 raw suppliers

Chemical Property of 1,7-(Dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：98.67000
Density:2.88g/cm³
LogP:-0.47070
XLogP3:0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:0
Exact Mass:203.96633434
Heavy Atom Count:12
Complexity:352

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=NOS3=C2C(=NO3)CS1=O

Technology Process of 1,7-(Dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide

There total 5 articles about 1,7-(Dioxa)-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene-4-oxide 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: 70.0%

: 85579-17-5
5H,7H-2,3-dioxa-2a,6-dithia(2a-S^IV)-1,4-diazacyclopentindene

: 85579-26-6
5H,7H-2,3-Dioxa-2aλ⁴,6-dithia-1,4-diaza-cyclopenta[cd]indene 6-oxide

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 0.25h; Ambient temperature;

Reference yield:

: 1-Oxo-dihydro-1λ⁴-thiopyran-3,5-dione dioxime

: 101407-63-0
5H,7H-2-Oxa-2aλ⁴,3,6-trithia-1,4-diaza-cyclopenta[cd]indene 6-oxide

: 85579-26-6
5H,7H-2,3-Dioxa-2aλ⁴,6-dithia-1,4-diaza-cyclopenta[cd]indene 6-oxide

Guidance literature:: With sulfur dichloride; In tetrahydrofuran; at -78 - -65 ℃;

Reference yield:

: 6881-49-8
tetrahydrothiopyran-3,5-dione

: 85579-26-6
5H,7H-2,3-Dioxa-2aλ⁴,6-dithia-1,4-diaza-cyclopenta[cd]indene 6-oxide

Guidance literature:: Multi-step reaction with 3 steps

1: NH₂OH*HCl; NaOAc*H₂O / ethanol; H₂O / 0.5 h

2: 46 percent / SCl₂; iodine / tetrahydrofuran / -70 - -40 °C

3: 70 percent / m-chloroperbenzoic acid / CH₂Cl₂ / 0.25 h / Ambient temperature

With sulfur dichloride; hydroxylamine hydrochloride; iodine; sodium acetate; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; ethanol; dichloromethane; water;