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

Base Information

Chemical Name:1,7-Dioxa-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene
CAS No.:85579-17-5
Molecular Formula:C₅H₄N₂O₂S₂
Molecular Weight:188.231
Hs Code.:
DSSTox Substance ID:DTXSID60234783
Wikidata:Q83116620
Mol file:85579-17-5.mol

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

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

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

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：87.69000
Density:2.47g/cm³
LogP:-0.35190
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:0
Exact Mass:187.97141972
Heavy Atom Count:11
Complexity:292

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

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

There total 4 articles about 1,7-Dioxa-2,6-diaza-4,7a-dithia-3H,5H-benzo(cd)pentalene 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: 46.0%

: 90706-71-1
Thiopyran-3,5-dione dioxime

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

Guidance literature:: With sulfur dichloride; iodine; In tetrahydrofuran; at -70 - -40 ℃;

Reference yield:

: 90706-71-1
Thiopyran-3,5-dione dioxime

: 85579-18-6
5H,7H-2-Oxa-2aλ⁴,3,6-trithia-1,4-diaza-cyclopenta[cd]indene

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

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

Reference yield:

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

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

Guidance literature:: Multi-step reaction with 2 steps

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

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

With sulfur dichloride; hydroxylamine hydrochloride; iodine; sodium acetate; In tetrahydrofuran; ethanol; water;