[4-(4-Fluorophenyl)piperazin-1-yl][5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone

Base Information

• Chemical Name: [4-(4-Fluorophenyl)piperazin-1-yl][5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
• CAS No.: 6069-97-2
• Molecular Formula: C₁₀H₁₈
• Molecular Weight: 138.253
• DSSTox Substance ID: DTXSID20417439

Synonyms:CBMicro_014501;6069-97-2;[4-(4-Fluorophenyl)piperazin-1-yl]-[5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone;DTXSID20417439;KHPGRQNVBQCFCJ-UHFFFAOYSA-N;3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;SMSF0013032;STL330524;AKOS001622493;CB12173;BIM-0014604.P001;AE-848/14138178;[4-(4-fluorophenyl)piperazin-1-yl][5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone

Chemical Property of [4-(4-Fluorophenyl)piperazin-1-yl][5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone

Chemical Property:

• Vapor Pressure: 2.06E-15mmHg at 25°C
• Boiling Point: 622.4°C at 760 mmHg
• Flash Point: 330.2°C
• Density: 1.4g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 487.19952309
• Heavy Atom Count: 35
• Complexity: 730

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2CC(N3C(=C(C=N3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F)N2)C(F)(F)F

Technology Process of [4-(4-Fluorophenyl)piperazin-1-yl][5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone

There total 6 articles about [4-(4-Fluorophenyl)piperazin-1-yl][5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone 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:

3-carene (13466-78-9,19079-29-9) → 1-methyl-4-isopropenylbenzene (1195-32-0) + 3,7,7-trimethyl-cyclohepta-1,3,5-triene (3479-89-8) + 2-(3-methylphenyl)propene (1124-20-5) + trans-Carane (554-59-6,2778-68-9,6069-97-2,18968-23-5,18968-24-6,83572-76-3,103239-63-0)

Guidance literature:

platinum on activated charcoal; at 180 - 200 ℃; Further byproducts given. Title compound not separated from byproducts; incomplete reaction;

DOI:10.1007/BF00577217

Reference yield:

→ (+)-trans-Caran (6069-97-2)

Guidance literature:

With hydrazone; ethanol; sodium ethanolate; at 140 ℃;

Reference yield:

pulegone (89-82-7,3285-04-9,3391-90-0,15932-80-6,90449-51-7) → (+)-trans-Caran (6069-97-2)

Guidance literature:

With hydrazine; Behandeln mit KOH;

upstream raw materials:

pulegone

trans-caran-2-one

Toluene-4-sulfonic acid (1R,3S,4S,6S)-4,7,7-trimethyl-bicyclo[4.1.0]hept-3-yl ester

3-carene

Downstream raw materials:

1-isopropyl 3-methyl cyclohexane

8-bromo-m-menthane

p-4⁽⁸⁾-menthene

trans-8-p-menthene

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