1H-Pyrazol-5-ol, 1-(6-fluoro-2-benzothiazolyl)-3-methyl-

Base Information

• Chemical Name: 1H-Pyrazol-5-ol, 1-(6-fluoro-2-benzothiazolyl)-3-methyl-
• CAS No.: 92537-77-4
• Molecular Formula: C11H8FN3OS
• Molecular Weight: 249.2641
• DSSTox Substance ID: DTXSID90919117
• Wikidata: Q82891556

Synonyms:92537-77-4;BRN 4490986;1H-Pyrazol-5-ol, 1-(6-fluoro-2-benzothiazolyl)-3-methyl-;1-(6-Fluoro-2-benzothiazolyl)-3-methyl-1H-pyrazol-5-ol;C11H8FN3OS;DTXSID90919117;C11-H8-F-N3-O-S;LS-129002;1-(6-Fluorobenzo[d]thiazol-2-yl)-3-methyl-1H-pyrazol-5-ol;2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one

Chemical Property of 1H-Pyrazol-5-ol, 1-(6-fluoro-2-benzothiazolyl)-3-methyl-

Chemical Property:

• Vapor Pressure: 9.77E-08mmHg at 25°C
• Boiling Point: 434°Cat760mmHg
• Flash Point: 216.3°C
• PSA: 78.92000
• Density: 1.476g/cm³
• LogP: 2.22280
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 249.03721122
• Heavy Atom Count: 17
• Complexity: 376

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)N(N1)C2=NC3=C(S2)C=C(C=C3)F

Technology Process of 1H-Pyrazol-5-ol, 1-(6-fluoro-2-benzothiazolyl)-3-methyl-

There total 1 articles about 1H-Pyrazol-5-ol, 1-(6-fluoro-2-benzothiazolyl)-3-methyl- 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: 80.0%

ethyl acetoacetate (141-97-9) + 1-(6-fluorobenzo[d]thiazol-2-yl)hydrazine (78364-55-3) → 6-Fluoro-2-(3'-methyl-5'-oxo-2'-pyrazolin-1'-yl)benzothiazole (92537-77-4)

Guidance literature:

With hydrogenchloride; In ethanol; Heating;

Reference yield:

ethyl acetoacetate (141-97-9) + 6-Fluoro-2-(3'-methyl-5'-oxo-2'-pyrazolin-1'-yl)benzothiazole (92537-77-4) → 1-(6-Fluoro-benzothiazol-2-yl)-3,4-dimethyl-1H-pyrano[2,3-c]pyrazol-6-one (106515-45-1)

Guidance literature:

at 160 ℃;

upstream raw materials:

ethyl acetoacetate

1-(6-fluorobenzo[d]thiazol-2-yl)hydrazine

Downstream raw materials:

1-(6-Fluoro-benzothiazol-2-yl)-3,4-dimethyl-1H-pyrano[2,3-c]pyrazol-6-one

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