2-(1,3-Benzodioxol-5-yl)-1,3-benzothiazole

Base Information

Chemical Name:2-(1,3-Benzodioxol-5-yl)-1,3-benzothiazole
CAS No.:41230-20-0
Molecular Formula:C₁₄H₉NO₂S
Molecular Weight:255.297
Hs Code.:2934999090
DSSTox Substance ID:DTXSID30354760
Nikkaji Number:J902.439E
Wikidata:Q82133152
ChEMBL ID:CHEMBL201325
Mol file:41230-20-0.mol

Synonyms:2-(1,3-benzodioxol-5-yl)-1,3-benzothiazole;41230-20-0;SMR000102911;MLS000105937;2-(benzo[d][1,3]dioxol-5-yl)benzo[d]thiazole;2-Benzo[1,3]dioxol-5-yl-benzothiazole;Cambridge id 5320916;CHEMBL201325;cid_781196;SCHEMBL2251229;BDBM49337;DTXSID30354760;HMS2423A09;STL164314;AKOS000416590;2-(3,4-methylenedioxyphenyl)benzothiazole;AB00080619-01;2-(2H-1,3-BENZODIOXOL-5-YL)-1,3-BENZOTHIAZOLE

Suppliers and Price of 2-(1,3-Benzodioxol-5-yl)-1,3-benzothiazole

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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Total 0 raw suppliers

Chemical Property of 2-(1,3-Benzodioxol-5-yl)-1,3-benzothiazole

Chemical Property:

Melting Point:125 °C
Boiling Point:415.9±55.0 °C(Predicted)
PKA:0.86±0.10(Predicted)
PSA：59.59000
Density:1.397±0.06 g/cm3(Predicted)
LogP:3.69200
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:255.03539970
Heavy Atom Count:18
Complexity:314

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4S3

Technology Process of 2-(1,3-Benzodioxol-5-yl)-1,3-benzothiazole

There total 13 articles about 2-(1,3-Benzodioxol-5-yl)-1,3-benzothiazole 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: 97.0%

: 120-57-0,30024-74-9
piperonal

: 615-43-0
2-iodophenylamine

: 41230-20-0
2-(benzo[1,3]dioxol-5-yl)-1,3-benzothiazole

Guidance literature:: With magnesium sulfate; copper(l) chloride; In dimethyl sulfoxide; at 110 ℃; for 6h;
DOI:10.1002/ejoc.201101773

Reference yield: 93.0%

: 120-57-0,30024-74-9
piperonal

: 137-07-5
2-amino-benzenethiol

: 41230-20-0
2-(benzo[1,3]dioxol-5-yl)-1,3-benzothiazole

Guidance literature:: With 1-pentyl-3-methylimidazolium bromide; for 0.0583333h; microwave irradiation;
DOI:10.1246/cl.2004.274

Reference yield: 90.0%

: 495-76-1
piperonol

: 137-07-5
2-amino-benzenethiol

: 41230-20-0
2-(benzo[1,3]dioxol-5-yl)-1,3-benzothiazole

Guidance literature:: With dimethyl sulfoxide; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; In ethyl acetate; at 0 - 25 ℃; for 3h; chemoselective reaction; Inert atmosphere;
DOI:10.1016/j.tetlet.2011.08.037