Benzothiazole, 2-[(phenylmethyl)sulfonyl]-

Base Information

Chemical Name:Benzothiazole, 2-[(phenylmethyl)sulfonyl]-
CAS No.:67219-33-4
Molecular Formula:C14H11NO2S2
Molecular Weight:289.379
Hs Code.:
ChEMBL ID:CHEMBL4522839
DSSTox Substance ID:DTXSID70429522
Nikkaji Number:J2.310.035E
Wikidata:Q82242548

Synonyms:67219-33-4;CHEMBL4522839;2-(benzylsulfonyl)-1,3-benzothiazole;Benzothiazole, 2-[(phenylmethyl)sulfonyl]-;CMLDBU00003857;2-benzylsulfonyl-1,3-benzothiazole;benzyl benzothiazol-2-yl sulfone;DTXSID70429522;JOGKYWBQKGULJT-UHFFFAOYSA-N;2-(Benzylsulfonyl)benzo[d]thiazole;BDBM50532920;NSC793591;NSC-793591;2-Phenylmethane)sulfonyl-1,3-benzothiazole

Suppliers and Price of Benzothiazole, 2-[(phenylmethyl)sulfonyl]-

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 1 raw suppliers

Chemical Property of Benzothiazole, 2-[(phenylmethyl)sulfonyl]-

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:289.02312094
Heavy Atom Count:19
Complexity:398

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)CS(=O)(=O)C2=NC3=CC=CC=C3S2

Technology Process of Benzothiazole, 2-[(phenylmethyl)sulfonyl]-

There total 17 articles about Benzothiazole, 2-[(phenylmethyl)sulfonyl]- 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: 99.0%

: 100-39-0
benzyl bromide

: sodium benzo[d]thiazole-2-sulfinate

: 67219-33-4
2-phenylmethanesulfonyl-benzothiazole

Guidance literature:: In N,N-dimethyl-formamide; at 20 ℃; for 18h; Solvent;
DOI:10.1021/acs.orglett.7b01693

Reference yield: 96.0%

: 149-30-4,118090-09-8
2-Mercaptobenzothiazole

: 100-51-6,185532-71-2
benzyl alcohol

: 67219-33-4
2-phenylmethanesulfonyl-benzothiazole

Guidance literature:: 2-Mercaptobenzothiazole; benzyl alcohol; With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 0 - 20 ℃;

With sodium tungstate (VI) dihydrate; dihydrogen peroxide; In tetrahydrofuran; ethanol; water; at 0 ℃;
DOI:10.1021/acs.joc.8b00112