3-(1,3-Benzothiazol-2-yl)benzonitrile

Base Information

Chemical Name:3-(1,3-Benzothiazol-2-yl)benzonitrile
CAS No.:67362-99-6
Molecular Formula:C15H9N3O2
Molecular Weight:236.297
Hs Code.:
DSSTox Substance ID:DTXSID40564313
Nikkaji Number:J3.189.461A
Wikidata:Q82448992
Mol file:67362-99-6.mol

Synonyms:67362-99-6;3-(1,3-Benzothiazol-2-yl)benzonitrile;3-BENZOTHIAZOL-2-YL-BENZONITRILE;2-(3-Cyanophenyl)benzothiazole;SCHEMBL25566952;DTXSID40564313;3-(Benzo[d]thiazol-2-yl)benzonitrile;AKOS005062590

Suppliers and Price of 3-(1,3-Benzothiazol-2-yl)benzonitrile

Supply Marketing:

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

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 3-(1,3-Benzothiazol-2-yl)benzonitrile

Chemical Property:

PSA：64.92000
LogP:3.83498
XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:236.04081944
Heavy Atom Count:17
Complexity:321

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)N=C(S2)C3=CC=CC(=C3)C#N

Technology Process of 3-(1,3-Benzothiazol-2-yl)benzonitrile

There total 9 articles about 3-(1,3-Benzothiazol-2-yl)benzonitrile 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: 94.0%

: N-(2-bromophenyl)-3-cyanobenzothioamide

: 67362-99-6
3-(benzo[d]thiazol-2-yl)benzonitrile

Guidance literature:: With copper(l) iodide; 4-phenyl-1-(3-O-benzyl-6-deoxy-1,2-O-isopropylidene-α-D-glucofuranos-6-yl)-1H-1,2,3-triazole; potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 10h; Inert atmosphere; Sealed tube;
DOI:10.1021/acscombsci.9b00004

Reference yield: 94.0%

: 67362-99-6
3-(benzo[d]thiazol-2-yl)benzonitrile

Guidance literature:: With water; caesium carbonate; for 0.166667h; Microwave irradiation;

Reference yield: 87.0%

: 95-16-9
1,3-Benzothiazole

: 69113-59-3
3-iodobenzonitrile

: 67362-99-6
3-(benzo[d]thiazol-2-yl)benzonitrile

Guidance literature:: With [2,2]bipyridinyl; nickel(II) acetate tetrahydrate; magnesium 2-methylpropan-2-olate; In N,N-dimethyl-formamide; for 36h; Inert atmosphere;
DOI:10.1002/chem.201101091