Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-fluoro-2-benzothiazolyl)-

Base Information

• Chemical Name: Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-fluoro-2-benzothiazolyl)-
• CAS No.: 106515-45-1
• Molecular Formula: C₁₅H₁₀FN₃O₂S
• Molecular Weight: 315.328
• DSSTox Substance ID: DTXSID60147622
• Wikidata: Q83012991
• Mol file: 106515-45-1.mol

Synonyms:BRN 5616275;Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-fluoro-2-benzothiazolyl)-;3,4-Dimethyl-1-(6-fluoro-2-benzothiazolyl)pyrano(2,3-c)pyrazol-6(1H)-one;106515-45-1;DTXSID60147622;LS-127491

Chemical Property of Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-fluoro-2-benzothiazolyl)-

Chemical Property:

• Vapor Pressure: 3.62E-12mmHg at 25°C
• Boiling Point: 550.5°Cat760mmHg
• Flash Point: 286.8°C
• Density: 1.57g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 315.04777591
• Heavy Atom Count: 22
• Complexity: 517

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)OC2=C1C(=NN2C3=NC4=C(S3)C=C(C=C4)F)C

Technology Process of Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-fluoro-2-benzothiazolyl)-

There total 3 articles about Pyrano(2,3-c)pyrazol-6(1H)-one, 3,4-dimethyl-1-(6-fluoro-2-benzothiazolyl)- 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:

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 ℃;

Reference yield:

ethyl acetoacetate (141-97-9) + 1-(6-fluorobenzo[d]thiazol-2-yl)hydrazine (78364-55-3) → 1-(6-Fluoro-benzothiazol-2-yl)-3,4-dimethyl-1H-pyrano[2,3-c]pyrazol-6-one (106515-45-1)

Guidance literature:

at 160 ℃;

Reference yield:

1-(6-fluorobenzo[d]thiazol-2-yl)hydrazine (78364-55-3) + ethyl 2-ethyl-3-oxobutanoate (607-97-6) → 1-(6-Fluoro-benzothiazol-2-yl)-3,4-dimethyl-1H-pyrano[2,3-c]pyrazol-6-one (106515-45-1)

Guidance literature:

at 160 ℃; Yield given;

DOI:10.1002/oms.1210220109

upstream raw materials:

ethyl acetoacetate

6-Fluoro-2-(3'-methyl-5'-oxo-2'-pyrazolin-1'-yl)benzothiazole

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

ethyl 2-ethyl-3-oxobutanoate