1H-Benzotriazole, 1-(5-phenylthieno(2,3-d)isothiazol-3-yl)-, S(sup 1),S(sup 1)-dioxide

Base Information

Chemical Name:1H-Benzotriazole, 1-(5-phenylthieno(2,3-d)isothiazol-3-yl)-, S(sup 1),S(sup 1)-dioxide
CAS No.:113412-71-8
Molecular Formula:C₁₇H₁₀N₄O₂S₂
Molecular Weight:366.424
Hs Code.:
DSSTox Substance ID:DTXSID10150409
Wikidata:Q83016498
Mol file:113412-71-8.mol

Synonyms:BRN 5999663;1H-Benzotriazole, 1-(5-phenylthieno(2,3-d)isothiazol-3-yl)-, S(sup 1),S(sup 1)-dioxide;1-(5-Phenylthieno(2,3-d)isothiazol-3-yl)-1H-benzotriazole S(sup 1),S(sup 1)-dioxide;113412-71-8;DTXSID10150409;C17H10N4O2S2;C17-H10-N4-O2-S2;LS-41558

Suppliers and Price of 1H-Benzotriazole, 1-(5-phenylthieno(2,3-d)isothiazol-3-yl)-, S(sup 1),S(sup 1)-dioxide

Supply Marketing:

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

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Chemical Property of 1H-Benzotriazole, 1-(5-phenylthieno(2,3-d)isothiazol-3-yl)-, S(sup 1),S(sup 1)-dioxide

Chemical Property:

Vapor Pressure:3.24E-18mmHg at 25°C
Boiling Point:677.5°C at 760 mmHg
Flash Point:363.6°C
Density:1.64g/cm³
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:366.02451792
Heavy Atom Count:25
Complexity:656

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=CC3=C(S2)C(=NS3(=O)=O)N4C5=CC=CC=C5N=N4

Technology Process of 1H-Benzotriazole, 1-(5-phenylthieno(2,3-d)isothiazol-3-yl)-, S(sup 1),S(sup 1)-dioxide

There total 4 articles about 1H-Benzotriazole, 1-(5-phenylthieno(2,3-d)isothiazol-3-yl)-, S(sup 1),S(sup 1)-dioxide 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: 45.0%

: 95-14-7,27556-51-0
1,2,3-Benzotriazole

: 113387-57-8
5-phenyl-2,3-dihydro-3-oxo-thieno<2,3-d>isothiazole-1,1-dioxide

: 113412-71-8
1-(1,1-Dioxo-5-phenyl-1H-1λ⁶-thieno[2,3-d]isothiazol-3-yl)-1H-benzotriazole

Guidance literature:: With phosphorus pentachloride;
DOI:10.1016/0223-5234(88)90204-8

Reference yield:

: 100063-22-7
methyl 3-amino-5-phenylthiophene-2-carboxylate

: 113412-71-8
1-(1,1-Dioxo-5-phenyl-1H-1λ⁶-thieno[2,3-d]isothiazol-3-yl)-1H-benzotriazole

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) 35percent HCl, NaNO₂; 2.) cupric chloride, SO₂ / 1.) water, 0 deg C, 1 h; 2.) water, acetic acid

2: 81 percent / NH₃ (gas) / CH₂Cl₂ / 2 h / 0 °C

3: 90 percent / 2M NaOMe / methanol / 24 h / Heating

4: 45 percent / PCl₅

With hydrogenchloride; phosphorus pentachloride; sulfur dioxide; ammonia; sodium methylate; copper dichloride; sodium nitrite; In methanol; dichloromethane;
DOI:10.1016/0223-5234(88)90204-8

Reference yield:

: 113387-58-9
5-phenyl-3-chlorosulfonyl-2-methoxycarbonyl thiophene

: 113412-71-8
1-(1,1-Dioxo-5-phenyl-1H-1λ⁶-thieno[2,3-d]isothiazol-3-yl)-1H-benzotriazole

Guidance literature:: Multi-step reaction with 3 steps

1: 81 percent / NH₃ (gas) / CH₂Cl₂ / 2 h / 0 °C

2: 90 percent / 2M NaOMe / methanol / 24 h / Heating

3: 45 percent / PCl₅

With phosphorus pentachloride; ammonia; sodium methylate; In methanol; dichloromethane;
DOI:10.1016/0223-5234(88)90204-8