2-Propan-2-yl-3,1-benzoxathiin-4-one

Base Information

Chemical Name:2-Propan-2-yl-3,1-benzoxathiin-4-one
CAS No.:94442-82-7
Molecular Formula:C₁₁H₁₂O₂S
Molecular Weight:208.281
Hs Code.:
NSC Number:58107
DSSTox Substance ID:DTXSID40288921
Nikkaji Number:J2.360.447G

Synonyms:94442-82-7;2-propan-2-yl-3,1-benzoxathiin-4-one;NSC58107;DTXSID40288921;NSC-58107

Suppliers and Price of 2-Propan-2-yl-3,1-benzoxathiin-4-one

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
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price

Total 5 raw suppliers

Chemical Property of 2-Propan-2-yl-3,1-benzoxathiin-4-one

Chemical Property:

Vapor Pressure:3.17E-05mmHg at 25°C
Boiling Point:355.2°Cat760mmHg
Flash Point:175.5°C
Density:1.187g/cm³
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:208.05580079
Heavy Atom Count:14
Complexity:227

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1OC(=O)C2=CC=CC=C2S1

Technology Process of 2-Propan-2-yl-3,1-benzoxathiin-4-one

There total 2 articles about 2-Propan-2-yl-3,1-benzoxathiin-4-one 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: 83.0%

: 2-(2-methyl-allylsulfanyl)-benzoic acid

: 94442-82-7
2-isopropylbenzo[d]-1,3-oxathiin-4-one

Guidance literature:: With aluminium(III) triflate; In 1,2-dichloro-ethane; at 82 ℃; for 0.5h;
DOI:10.1002/ejoc.200600300

Reference yield:

: 94442-82-7
2-isopropylbenzo[d]-1,3-oxathiin-4-one

Guidance literature:: Thiosalicylsaeure, Isobutyraldehyd, sied. Benzol, p-Toluolsulfonsaeure;

Reference yield:

: 94442-82-7
2-isopropylbenzo[d]-1,3-oxathiin-4-one

: 2514-36-5
2-benzylbenzo[d]isothiazol-3(2H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 0.67 h / 20 °C

2: ammonia / toluene / 6 h / 50 °C

With ammonia; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; toluene;
DOI:10.1016/j.tet.2012.03.094