2,2-dimethyl-2,3-dihydro-4H-1-benzothiopyran-4-one 1-oxide

Base Information

• Chemical Name: 2,2-dimethyl-2,3-dihydro-4H-1-benzothiopyran-4-one 1-oxide
• CAS No.: 13189-17-8
• Molecular Formula: C₁₁H₁₂O₂S
• Molecular Weight: 208.281
• European Community (EC) Number: 848-329-6

Synonyms:13189-17-8;2,2-dimethylthiochroman-4-one 1-oxide;2,2-dimethyl-2,3-dihydro-4H-1-benzothiopyran-4-one 1-oxide;2,2-dimethyl-3,4-dihydro-2H-1lambda4-benzothiopyran-1,4-dione;2,2-dimethyl-1-oxo-3H-thiochromen-4-one;2,2-dimethyl-3,4-dihydro-2H-1;AKOS034015299;CS-0247381;E73183;EN300-365255;Z1269243203;2,2-dimethyl-3,4-dihydro-2H-1|E?-benzothiopyran-1,4-dione;2,2-Dimethyl-3,4-dihydro-2h-1|E4-benzothiopyran-1,4-dione

Chemical Property of 2,2-dimethyl-2,3-dihydro-4H-1-benzothiopyran-4-one 1-oxide

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 208.05580079
• Heavy Atom Count: 14
• Complexity: 283

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CC(=O)C2=CC=CC=C2S1=O)C

Technology Process of 2,2-dimethyl-2,3-dihydro-4H-1-benzothiopyran-4-one 1-oxide

There total 2 articles about 2,2-dimethyl-2,3-dihydro-4H-1-benzothiopyran-4-one 1-oxide 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%

2,2-dimethylthiochroman-4-one (28035-02-1) → 2,2-dimethyl-4-oxothiochroman S-oxide (13189-17-8) + 2-(3-methylcrotonoyl)-N-(p-tolylsulphonyl)benzenesulphenamide (78073-20-8) + 2,2-dimethyl-1-(p-tolylsulphonylimino)thiochroman-4-one (78073-19-5)

Guidance literature:

With chloroamine-T; acetic acid; In methanol; at 0 ℃;

DOI:10.1039/P19810001037

Reference yield: 3.0%

2,2-dimethylthiochroman-4-one (28035-02-1) + chloroamine-T (127-65-1) → 2,2-dimethyl-4-oxothiochroman S-oxide (13189-17-8) + 2-(3-methylcrotonoyl)-N-(p-tolylsulphonyl)benzenesulphenamide (78073-20-8) + 2,2-dimethyl-1-(p-tolylsulphonylimino)thiochroman-4-one (78073-19-5)

Guidance literature:

With acetic acid; In ethanol; at 0 ℃;

DOI:10.1039/P19810001037

Reference yield:

2,2-dimethyl-4-oxothiochroman S-oxide (13189-17-8) → 1-(2-Mercapto-phenyl)-3-methyl-but-3-en-1-one (60221-90-1)

Guidance literature:

In methanol; Irradiation;

upstream raw materials:

2,2-dimethylthiochroman-4-one

chloroamine-T

Downstream raw materials:

1-(2-Mercapto-phenyl)-3-methyl-but-3-en-1-one

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