4H-thiopyran-4-one 1,1-dioxide

Base Information

• Chemical Name: 4H-thiopyran-4-one 1,1-dioxide
• CAS No.: 17396-38-2
• Molecular Formula: C₅H₄O₃S
• Molecular Weight: 144.151
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID401304572
• Nikkaji Number: J113.729H
• Mol file: 17396-38-2.mol

Synonyms:4H-thiopyran-4-one 1,1-dioxide;17396-38-2;1,1-dioxothiopyran-4-one;4H-Thiopyran-4-one, 1,1-dioxide;4H-1Lambda6-thiopyran-1,1,4-trione;1,1-dioxo-thiopyran-4-one;thiopyran-4-one-S,S-dioxide;SCHEMBL2785167;DTXSID401304572;4h-1|E6-thiopyran-1,1,4-trione;4H-1|E?-thiopyran-1,1,4-trione;AKOS024329014;CS-0247909;EN300-378345

Chemical Property of 4H-thiopyran-4-one 1,1-dioxide

Chemical Property:

• PSA: 59.59000
• LogP: 1.09210
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 143.98811516
• Heavy Atom Count: 9
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CS(=O)(=O)C=CC1=O

Technology Process of 4H-thiopyran-4-one 1,1-dioxide

There total 12 articles about 4H-thiopyran-4-one 1,1-dioxide 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%

2,3-dihydro-4H-thiin-4-one 1,1-dioxide (57321-26-3) → 4H-Thiopyran-4-one 1,1-dioxide (17396-38-2)

Guidance literature:

With selenium(IV) oxide; In isopropyl alcohol; for 15h; Heating;

DOI:10.1021/jo00111a027

Reference yield: 70.0%

3,5-dibromo-1,1-dioxo-tetrahydro-1λ6-thiopyran-4-one (408314-20-5) → 4H-Thiopyran-4-one 1,1-dioxide (17396-38-2)

Guidance literature:

With sodium acetate; In acetone; for 72h; Ambient temperature;

DOI:10.1021/jo00111a027

Reference yield: 37.0%

4H-thiopyran-4-one (1003-41-4) → 4H-Thiopyran-4-one 1,1-dioxide (17396-38-2)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 0.5h;

upstream raw materials:

4H-thiopyran-4-one

sodium acetate

acetone

3,5-dibromo-1,1-dioxo-tetrahydro-1λ⁶-thiopyran-4-one

Downstream raw materials:

1,1-dioxotetrahydrothiopyran-4-one

Refernces

• 1、 Harris, Robin K.,Lane, Simon,Metcalfe, Kenneth,Packer, Kenneth J.,Root, Andrew,Taylor, Richard J. K.. "Solid- and Solution-state Carbon-13 Nuclear Magnetic Resonance Studies of a Series of Sulphur-containing Heterocycles". . p. 1887 - 1894. Retrieved 2007/10/02.