2,6-Dimethylpyran-4-thione

Base Information

• Chemical Name: 2,6-Dimethylpyran-4-thione
• CAS No.: 1004-37-1
• Molecular Formula: C7H8 O S
• Molecular Weight: 140.206
• Hs Code.: 2932999099
• NSC Number: 75204
• UNII: WH3TYZ5G4V
• DSSTox Substance ID: DTXSID80143247
• Nikkaji Number: J51.185D
• Wikidata: Q83007023
• Mol file: 1004-37-1.mol

Synonyms:2,6-Dimethylpyran-4-thione;1004-37-1;2,6-Dimethyl-4H-pyran-4-thione;2,6-Dimethyl-4-thiopyrone;4H-Pyran-4-thione, 2,6-dimethyl-;2,6-DIMETHYLPYRAN-4(4H)-THIONE;NSC 75204;WH3TYZ5G4V;BRN 0107420;NSC-75204;5-17-09-00412 (Beilstein Handbook Reference);NSC75204;UNII-WH3TYZ5G4V;NCIOpen2_000889;F1029-0068;SCHEMBL7593835;4H-Pyran-4-thione,6-dimethyl-;DTXSID80143247;BAA00437;WLN: T6O DYJ B1 DUS F1;MFCD00154298;2,6-Dimethyl-4H-pyran-4-thione #;AKOS001673643;LS-127554;CS-0235576;EN300-1587410;AO-801/33291061;Z1198151368

Chemical Property of 2,6-Dimethylpyran-4-thione

Chemical Property:

• Vapor Pressure: 1.4mmHg at 25°C
• Boiling Point: 177.4°Cat760mmHg
• Flash Point: 61.1°C
• PSA: 45.23000
• Density: 1.13g/cm³
• LogP: 2.62590
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 140.02958605
• Heavy Atom Count: 9
• Complexity: 181

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,6-Dimethyl-4H-pyran-4-thione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=S)C=C(O1)C

Technology Process of 2,6-Dimethylpyran-4-thione

There total 11 articles about 2,6-Dimethylpyran-4-thione 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: 85.0%

2,6-dimethylpyrone (1004-36-0) → 2,6-dimethyl-pyran-4-thione (1004-37-1)

Guidance literature:

With Lawessons reagent; In toluene; for 12h; Mechanism; Heating; other γ-pyrone derivatives, other reagents, other conditions;

Reference yield: 60.0%

Lawessons reagent (19172-47-5,94367-93-8) → 2,6-dimethyl-pyran-4-thione (1004-37-1) + (4-methoxyphenyl)phosphonic acid (21778-19-8)

Guidance literature:

With 2,6-dimethylpyrone; In benzene; for 720h; Irradiation;

Reference yield:

→ 2,6-dimethyl-pyran-4-thione (1004-37-1)

Guidance literature:

With diphosphorus pentasulfide; benzene;

upstream raw materials:

2,6-dimethylpyrone

Lawessons reagent

Epidithio-(2,4)-heptadienon-(6)

2,6-dimethyl-4H-pyran-4-selenone

Downstream raw materials:

4-allylmercapto-2,6-dimethyl-pyrylium; iodide

2,6-dimethyl-4-(4-nitro-benzylsulfanyl)-pyrylium; iodide

2,6-dimethyl-4-(2-oxo-2-[2]phenanthryl-ethylsulfanyl)-pyrylium; bromide

4-benzylsulfanyl-2,6-dimethyl-pyrylium; 4-bromo-benzenesulfonate

Refernces

• 1、 Hafez, Taghrid S.,El-Khoshnieh, Yehia O.,Mahran, Mohamed R.,Atta, Sanaa M. S.. "ORGANOPHOSPHORUS CHEMISTRY, 20. THE BEHAVIOUR OF CERTAIN γ-PYRONE DERIVATIVES TOWARD 2,4-BIS-(4-METHOXYPHENYL)-1,3,2,4-DITHIAPHOSPHETAN-2,4-DISULPHIDE (LAWESSON REAGENT)". . p. 165 - 171. Retrieved 2007/10/02.
• 2、 Ohkata, Katsuo,Imagawa, Masao,Akiba, Kin-ya. "SYNTHESES OF VINYLOGOUS 4H-PYRONES FROM 2,6-DIMETHYL-4H-PYRAN-4-THIONE AND ARENYL BROMOMETHYL KETONES". . p. 2817 - 2820. Retrieved 2007/10/02.