3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

Base Information

• Chemical Name: 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
• CAS No.: 938022-22-1
• Molecular Formula: C₈H₁₀F₂N₂
• Molecular Weight: 172.178
• European Community (EC) Number: 891-724-3
• Mol file: 938022-22-1.mol

Synonyms:3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole;938022-22-1;3-DIFLUOROMETHYL-4,5,6,7-TETRAHYDRO-1H-INDAZOLE;MFCD07779640;SCHEMBL4751159;BBL040645;STK350817;AKOS005167342;SB85729;CS-0102259;EN300-230711;Z1198174350

Chemical Property of 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 172.08120465
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

3-(Difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC2=C(C1)C(=NN2)C(F)F

Technology Process of 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

There total 1 articles about 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole 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: 68.0%

2-difluoroacetylcyclohexanone (149894-28-0) → 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole (938022-22-1)

Guidance literature:

With hydrazine; In ethanol; at 60 ℃; for 16h;

Reference yield: 31.0%

(4-iodophenyl)(pyrrolidin-1-yl)methanone (168317-99-5) + 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole (938022-22-1) → 3-(difluoromethyl)-1-[4-(1-pyrrolidinylcarbonyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole (1092459-28-3)

Guidance literature:

With caesium carbonate; copper(l) iodide; dimethylaminoacetic acid; In dimethyl sulfoxide; at 130 ℃; for 3h;

Reference yield: 2.0%

1-[(4-bromo-2-fluorophenyl)methyl]-2-pyrrolidinone (1022931-60-7) + 3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole (938022-22-1) → 1-({4-[3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-fluorophenyl}methyl)-2-pyrrolidinone (1092459-40-9)

Guidance literature:

With caesium carbonate; copper(I) oxide; dimethylaminoacetic acid; at 180 ℃; for 0.5h; Microwave irradiation;

upstream raw materials:

2-difluoroacetylcyclohexanone

Downstream raw materials:

3-(difluoromethyl)-1-[4-(1-pyrrolidinylcarbonyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole

1-({4-[3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-fluorophenyl}methyl)-2-pyrrolidinone

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