2-(4-Methylphenyl)-6-nitro-1,3-benzothiazole

Base Information

Chemical Name:2-(4-Methylphenyl)-6-nitro-1,3-benzothiazole
CAS No.:53544-69-7
Molecular Formula:C14H10N2O2S
Molecular Weight:270.312
Hs Code.:
DSSTox Substance ID:DTXSID80544715
Nikkaji Number:J3.524.582K
Wikidata:Q82421948
Mol file:53544-69-7.mol

Synonyms:2-(4-Methylphenyl)-6-nitro-1,3-benzothiazole;53544-69-7;DTXSID80544715

Suppliers and Price of 2-(4-Methylphenyl)-6-nitro-1,3-benzothiazole

Supply Marketing:

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

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Chemical Property of 2-(4-Methylphenyl)-6-nitro-1,3-benzothiazole

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:270.04629874
Heavy Atom Count:19
Complexity:339

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Technology Process of 2-(4-Methylphenyl)-6-nitro-1,3-benzothiazole

There total 10 articles about 2-(4-Methylphenyl)-6-nitro-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: 83.0%

: 624-31-7
4-tolyl iodide

: 2942-06-5
6-nitrobenzo[d]thiazole

: 53544-69-7
2-(4-methylphenyl)-6-nitrobenzothiazole

Guidance literature:: With potassium phosphate; copper(II) ferrite; triphenylphosphine; In dimethyl sulfoxide; at 110 ℃; for 10h;
DOI:10.1016/j.tetlet.2015.07.002

Reference yield: 82.0%

: 101078-49-3
4-methyl-2'-chloro-4'-nitrothiobenzanilide

: 53544-69-7
2-(4-methylphenyl)-6-nitrobenzothiazole

Guidance literature:: With sodium methylate; In various solvent(s); at 110 ℃; for 3.5h;
DOI:10.1021/jm00155a037

Reference yield: 69.0%

: 824-79-3
sodium 4-methylbenzenesulfinate

: 2942-06-5
6-nitrobenzo[d]thiazole

: 53544-69-7
2-(4-methylphenyl)-6-nitrobenzothiazole

Guidance literature:: sodium 4-methylbenzenesulfinate; 6-nitrobenzo[d]thiazole; With copper diacetate; palladium diacetate; trifluoroacetic acid; In 1,2-dimethoxyethane; at 120 ℃; for 24h; Inert atmosphere; Sealed tube;

With potassium carbonate; In 1,2-dimethoxyethane; water; at 20 ℃;
DOI:10.1016/j.tet.2011.12.072