1,3-Dimethyldibenzothiophene

Base Information

Chemical Name:1,3-Dimethyldibenzothiophene
CAS No.:31317-15-4
Molecular Formula:C₁₄H₁₂S
Molecular Weight:212.315
Hs Code.:2934999090
DSSTox Substance ID:DTXSID20424042
Nikkaji Number:J1.058.330F
Wikidata:Q82236453
Mol file:31317-15-4.mol

Synonyms:1,3-dimethyldibenzothiophene;31317-15-4;Dibenzothiophene, 1,3-dimethyl;SCHEMBL14798097;DTXSID20424042;IPMMDFNYBNKMQS-UHFFFAOYSA-N;1,3-Dimethyldibenzo[b,d]thiophene;FT-0726725

Suppliers and Price of 1,3-Dimethyldibenzothiophene

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

American Custom Chemicals Corporation
1,3-DIMETHYLDIBENZOTHIOPHENE 98.00%
5MG
$ 503.62

Total 5 raw suppliers

Chemical Property of 1,3-Dimethyldibenzothiophene

Chemical Property:

PSA：28.24000
LogP:4.67130
XLogP3:5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:212.06597156
Heavy Atom Count:15
Complexity:238

Purity/Quality:

99.3% ^*data from raw suppliers

1,3-DIMETHYLDIBENZOTHIOPHENE 98.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C2C3=CC=CC=C3SC2=C1)C

Technology Process of 1,3-Dimethyldibenzothiophene

There total 8 articles about 1,3-Dimethyldibenzothiophene 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: 80.0%

: 3,5-dimethylphenyl phenyl sulfide

: 31317-15-4
1,3-dimethyldibenzothiophene

Guidance literature:: With palladium(II) trifluoroacetate; silver(I) acetate; potassium carbonate; at 130 ℃; for 24h; Schlenk technique;
DOI:10.1002/chem.201402265

Reference yield: 71.0%

: 89816-91-1
7,9-dimethyl-1,2,3,4-tetrahydrodibenzothiophene

: 31317-15-4
1,3-dimethyldibenzothiophene

Guidance literature:: With selenium; at 300 ℃; for 8h;

Reference yield:

: 1056477-06-5,822-85-5
2-bromocyclohexanone

: 31317-15-4
1,3-dimethyldibenzothiophene

Guidance literature:: Multi-step reaction with 3 steps

1: 82 percent / NaOH / aq. ethanol / r.t., 30min., then reflux, 4h

2: 78 percent / polyphosphoric acid / 1.5 h / 190 - 200 °C

3: 71 percent / Se powder / 8 h / 300 °C

With sodium hydroxide; selenium; PPA; In ethanol;