1,2-Benzoxathiine 2,2-dioxide

Base Information

Chemical Name:1,2-Benzoxathiine 2,2-dioxide
CAS No.:16979-15-0
Molecular Formula:C8H6 O3 S
Molecular Weight:182.2
Hs Code.:2934991000
NSC Number:139014
DSSTox Substance ID:DTXSID00300794
Nikkaji Number:J1.675.651B
Wikidata:Q82044145
Mol file:16979-15-0.mol

Synonyms:1,2-benzoxathiine 2,2-dioxide;16979-15-0;1,4-Benzoxathiin 4,4-dioxide;1,2lambda6-benzoxathiine 2,2-dioxide;NSC139014;SCHEMBL1607908;DTXSID00300794;benzo[e][1,2]oxathiin s,s-dioxide;NSC-139014

Suppliers and Price of 1,2-Benzoxathiine 2,2-dioxide

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

Total 4 raw suppliers

Chemical Property of 1,2-Benzoxathiine 2,2-dioxide

Chemical Property:

Vapor Pressure:0.164mmHg at 25°C
Boiling Point:220.8°C at 760 mmHg
Flash Point:87.3°C
PSA：51.75000
Density:1.432g/cm³
LogP:2.46030
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:182.00376522
Heavy Atom Count:12
Complexity:286

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C=CS(=O)(=O)O2

Technology Process of 1,2-Benzoxathiine 2,2-dioxide

There total 4 articles about 1,2-Benzoxathiine 2,2-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: 83.0%

: 49670-40-8
2-methanesulfonyloxybenzaldehyde

: 16979-15-0
benzo[e][1,2]oxathiine 2,2-dioxide

Guidance literature:: 2-methanesulfonyloxybenzaldehyde; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 20 ℃; for 12h;

With methanesulfonyl chloride; triethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 18h;
DOI:10.1021/ja303109q

Reference yield:

: 49670-40-8
2-methanesulfonyloxybenzaldehyde

: 16979-15-0
benzo[e][1,2]oxathiine 2,2-dioxide

: 49670-42-0
3,4-dihydro-1,2-benzoxathiin-4-ol 2,2-dioxide

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 0 ℃; for 2h; Inert atmosphere;
DOI:10.1016/j.tet.2012.04.080

Reference yield:

: 90-02-8
salicylaldehyde

: 16979-15-0
benzo[e][1,2]oxathiine 2,2-dioxide

Guidance literature:: Multi-step reaction with 2 steps

1.1: triethylamine / dichloromethane / 22.17 h / 0 - 20 °C

2.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane / 2 h / 0 °C / Inert atmosphere

2.2: 0 - 20 °C

With 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; In dichloromethane;
DOI:10.1016/j.tet.2012.04.080