3H-2,1-Benzoxathiole, 1-oxide

Base Information

Chemical Name:3H-2,1-Benzoxathiole, 1-oxide
CAS No.:31910-65-3
Molecular Formula:C₇H₆O₂S
Molecular Weight:154.189
Hs Code.:
DSSTox Substance ID:DTXSID80485275
Nikkaji Number:J567.848J
Mol file:31910-65-3.mol

Synonyms:3H-2,1-Benzoxathiole, 1-oxide;Benzthioxolon;31910-65-3;SCHEMBL5872459;DTXSID80485275

Suppliers and Price of 3H-2,1-Benzoxathiole, 1-oxide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3H-2,1-Benzoxathiole, 1-oxide

Chemical Property:

PSA：45.51000
LogP:2.10510
XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:154.00885060
Heavy Atom Count:10
Complexity:158

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=CC=CC=C2S(=O)O1

Technology Process of 3H-2,1-Benzoxathiole, 1-oxide

There total 1 articles about 3H-2,1-Benzoxathiole, 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: 43.0%

: 880104-81-4
4-methyl-benzenesulfinic acid 2-iodo-benzyl ester

: 2-methyl-7H-6-oxa-5-thia-dibenzo[a,c]cycloheptene 5-oxide

: 31910-65-3
3H-benzo[c][1,2]oxathiole 1-oxide

: 13146-13-9
benzyl 4-methylbenzenesulfinate

Guidance literature:: With triethyl borane; tri-n-butyl-tin hydride; In toluene; at 20 ℃;
DOI:10.1002/chem.200900942

Reference yield:

: 31910-65-3
3H-benzo[c][1,2]oxathiole 1-oxide

: 31910-66-4
2-chloromethyl-benzenesulfonyl chloride

Guidance literature:: With chlorine; In dichloromethane;
DOI:10.1139/v71-154

Reference yield:

: 31910-65-3
3H-benzo[c][1,2]oxathiole 1-oxide

: Sodium; 2-hydroxymethyl-benzenesulfinate

Guidance literature:: With sodium hydroxide; sodium perchlorate; In water; acetonitrile; at 25 ℃; Rate constant; other bases;
DOI:10.1021/jo00081a031