2-(4'-Chlorophenyl)benzothiopyrano(4,3-c)pyrazol-3-one

Base Information

• Chemical Name: 2-(4'-Chlorophenyl)benzothiopyrano(4,3-c)pyrazol-3-one
• CAS No.: 77617-75-5
• Molecular Formula: C19H15ClN2O2S
• Molecular Weight: 314.795
• DSSTox Substance ID: DTXSID20998839

Synonyms:2-(4'-chlorophenyl)benzothiopyrano(4,3-c)pyrazol-3-one;CP 17193;CP-17,193;CP-17193

Chemical Property of 2-(4'-Chlorophenyl)benzothiopyrano(4,3-c)pyrazol-3-one

Chemical Property:

• Vapor Pressure: 1.67E-09mmHg at 25°C
• Boiling Point: 483.5°Cat760mmHg
• Flash Point: 246.2°C
• Density: 1.38g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 370.0542766
• Heavy Atom Count: 25
• Complexity: 702

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC(C(=C1)C2=CC=C(C=C2)Cl)CSN3C(=O)C4=COC=CC4=N3

Technology Process of 2-(4'-Chlorophenyl)benzothiopyrano(4,3-c)pyrazol-3-one

There total 1 articles about 2-(4'-Chlorophenyl)benzothiopyrano(4,3-c)pyrazol-3-one 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: 64.0%

methyl 4-oxothiochromane-3-carboxylate (6125-48-0) + N-4-chlorophenylhydrazine (1073-69-4) → 2-(p-chlorophenyl)-1,2,3,4-tetrahydro<1>benzothiopyrano<4,3-c>pyrazol-3-one (77617-75-5)

Guidance literature:

With acetic acid; at 115 - 180 ℃; for 2h;

DOI:10.1021/jm00139a012

Reference yield: 88.0%

2-(p-chlorophenyl)-1,2,3,4-tetrahydro<1>benzothiopyrano<4,3-c>pyrazol-3-one (77617-75-5) → 2-(4-chlorophenyl)-1,2,3,4-tetrahydro[1]benzothiopyrano[4,3-c]pyrazol-3-one-5-oxide (77606-94-1)

Guidance literature:

With dihydrogen peroxide; In acetic acid; at 10 - 15 ℃; for 3.5h;

DOI:10.1021/jm00139a012

Reference yield: 84.0%

2-(p-chlorophenyl)-1,2,3,4-tetrahydro<1>benzothiopyrano<4,3-c>pyrazol-3-one (77617-75-5) → 2-(P-chlorophenyl)-2,3-dihydro<1>benzothiopyrano<4,3-c>pyrazol-3-one (77646-05-0)

Guidance literature:

With o-tetrachloroquinone; In dimethyl sulfoxide; for 1.5h; Ambient temperature;

DOI:10.1021/jm00139a012

upstream raw materials:

methyl 4-oxothiochromane-3-carboxylate

N-4-chlorophenylhydrazine

Downstream raw materials:

2-(P-chlorophenyl)-2,3-dihydro<1>benzothiopyrano<4,3-c>pyrazol-3-one

2-(4-chlorophenyl)-1,2,3,4-tetrahydro[1]benzothiopyrano[4,3-c]pyrazol-3-one-5-oxide

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