Thieno[3,4-b][1,4]benzodioxin (9CI)

Base Information

• Chemical Name: Thieno[3,4-b][1,4]benzodioxin (9CI)
• CAS No.: 484678-97-9
• Molecular Formula: C10H6O2S
• Molecular Weight: 190.222
• DSSTox Substance ID: DTXSID20457214
• Nikkaji Number: J1.857.672D
• Wikidata: Q82279975
• Mol file: 484678-97-9.mol

Synonyms:Thieno[3,4-b][1,4]benzodioxin (9CI);484678-97-9;thieno[3,4-b][1,4]benzodioxine;SCHEMBL19056350;3,4-(o-Phenylenedioxy)thiophene;DTXSID20457214;Thieno[3,4-b][1,4]benzodioxin;AKOS015840473;A7340

Chemical Property of Thieno[3,4-b][1,4]benzodioxin (9CI)

Chemical Property:

• PSA: 46.70000
• LogP: 3.64610
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 190.00885060
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)OC3=CSC=C3O2

Technology Process of Thieno[3,4-b][1,4]benzodioxin (9CI)

There total 1 articles about Thieno[3,4-b][1,4]benzodioxin (9CI) 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:

3,4-dihydroxythiophene-2,5-dicarboxylic acid diethyl ester (1822-66-8) + 2-Chloronitrobenzene (88-73-3) → 3,4-(1,2-phenylenedioxy)thiophene (484678-97-9)

Guidance literature:

With potassium carbonate; lithium bromide; In N,N-dimethyl acetamide; at 200 ℃; for 1h; Microwave irradiation; Sealed tube; Inert atmosphere;

DOI:10.1039/c7tc05227h

upstream raw materials:

3,4-dihydroxythiophene-2,5-dicarboxylic acid diethyl ester

2-Chloronitrobenzene