1-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one

Base Information

• Chemical Name: 1-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one
• CAS No.: 37901-73-8
• Molecular Formula: C₁₃H₁₁FN₂O
• Molecular Weight: 230.242
• DSSTox Substance ID: DTXSID20429057
• Nikkaji Number: J3.261.531G
• Wikidata: Q82241942
• Mol file: 37901-73-8.mol

Synonyms:37901-73-8;1-(4-Fluorophenyl)-6,7-dihydro-1H-indazol-4(5H)-one;1-(4-FLUOROPHENYL)-1,5,6,7-TETRAHYDROINDAZOL-4-ONE;1-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one;SCHEMBL10124052;DTXSID20429057;STK250629;AKOS002305652;1-(4-fluorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one;1-(4-Fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-4-one;1-(4-FLUOROPHENYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-4-ONE

Chemical Property of 1-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 230.08554114
• Heavy Atom Count: 17
• Complexity: 302

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2=C(C=NN2C3=CC=C(C=C3)F)C(=O)C1

Technology Process of 1-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-one

There total 3 articles about 1-(4-fluorophenyl)-6,7-dihydro-5H-indazol-4-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: 90.0%

2-(dimethylaminomethylene)cyclohexane-1,3-dione (85302-07-4) + 4-fluorophenyhydrazine hydrochloride (823-85-8) → 1-(4-fluorophenyl)-1,5,6,7-tetrahydroindazol-4-one (37901-73-8)

Guidance literature:

With hydrogenchloride; In water; isopropyl alcohol; at 65 - 70 ℃;

DOI:10.1016/j.tetlet.2014.04.058

Reference yield:

1,3-cylohexanedione (504-02-9) → 1-(4-fluorophenyl)-1,5,6,7-tetrahydroindazol-4-one (37901-73-8)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 2 h / Reflux

2: hydrogenchloride / isopropyl alcohol; water / 65 - 70 °C

With hydrogenchloride; In water; isopropyl alcohol; toluene;

DOI:10.1016/j.tetlet.2014.04.058

Reference yield:

→ 1-(4-fluorophenyl)-1,5,6,7-tetrahydroindazol-4-one (37901-73-8)

Guidance literature:

entspr. Hydrazin, p-TsOH, Δ;

upstream raw materials:

2-(dimethylaminomethylene)cyclohexane-1,3-dione

4-fluorophenyhydrazine hydrochloride

1,3-cylohexanedione

Downstream raw materials:

C₁₃H₁₄FN₃

C₁₄H₁₅FN₂O

C₁₄H₁₄BrFN₂O

C₁₈H₂₃BrFN₃OS