2,7-Dimethoxythianthrene

Base Information

• Chemical Name: 2,7-Dimethoxythianthrene
• CAS No.: 54815-69-9
• Molecular Formula: C14H12O2S2
• Molecular Weight: 276.38
• DSSTox Substance ID: DTXSID50508960
• Nikkaji Number: J2.796.872D
• Wikidata: Q82366213

Synonyms:2,7-DIMETHOXYTHIANTHRENE;54815-69-9;Oprea1_453936;SCHEMBL9511259;DTXSID50508960

Chemical Property of 2,7-Dimethoxythianthrene

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 276.02787197
• Heavy Atom Count: 18
• Complexity: 259

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)SC3=C(S2)C=CC(=C3)OC

Technology Process of 2,7-Dimethoxythianthrene

There total 4 articles about 2,7-Dimethoxythianthrene 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: 65.0%

6-methoxy-1,2,3-benzothiadiazole (1753-90-8) + phenylacetylene (536-74-3) → 2-phenyl-6-methoxybenzothiophene (92014-01-2) + 2,7-dimethoxythiaanthrene (54815-69-9)

Guidance literature:

With di-tert-butyl peroxide; for 24h; Heating;

DOI:10.1021/jo00197a031

Reference yield: 52.0%

1,1-Diphenylethylene (530-48-3) + 6-methoxy-1,2,3-benzothiadiazole (1753-90-8) → 2,7-dimethoxythiaanthrene (54815-69-9) + 2,3-dihydro-2,2-diphenyl-6-methoxybenzothiophene (92013-96-2)

Guidance literature:

With di-tert-butyl peroxide; for 24h; Heating;

DOI:10.1021/jo00197a031

Reference yield: 21.0%

6-methoxy-1,2,3-benzothiadiazole (1753-90-8) + 2-(t-butylthio)acrylonitrile (72314-64-8) → 2,7-dimethoxythiaanthrene (54815-69-9) + 2-cyano-6-methoxybenzothiophene (92014-05-6) + 2,3-dihydro-2-cyano-2-(tert-butylthio)-6-methoxybenzothiophene (92013-99-5)

Guidance literature:

With di-tert-butyl peroxide; for 24h; Heating;

DOI:10.1021/jo00197a031

upstream raw materials:

1,1-Diphenylethylene

6-methoxy-1,2,3-benzothiadiazole

2-(t-butylthio)acrylonitrile

phenylacetylene

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