3-Cyclohexyl-5-phenyl-1H-pyrazole

Base Information

• Chemical Name: 3-Cyclohexyl-5-phenyl-1H-pyrazole
• CAS No.: 90861-53-3
• Molecular Formula: C15H18N2
• Molecular Weight: 226.321
• DSSTox Substance ID: DTXSID701300117
• Nikkaji Number: J1.067.076D,J2.585.503E

Synonyms:3-Cyclohexyl-5-phenyl-1H-pyrazole;SCHEMBL1108507;DTXSID701300117;90861-53-3

Chemical Property of 3-Cyclohexyl-5-phenyl-1H-pyrazole

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 226.146998583
• Heavy Atom Count: 17
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)C2=CC(=NN2)C3=CC=CC=C3

Technology Process of 3-Cyclohexyl-5-phenyl-1H-pyrazole

There total 9 articles about 3-Cyclohexyl-5-phenyl-1H-pyrazole 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%

N′-(cyclohexylmethylene)-4-methylbenzenesulfonohydrazide (34266-29-0) + phenylacetylene (536-74-3) → 3-cyclohexyl-5-phenyl-1H-pyrazole (90861-53-3)

Guidance literature:

N′-(cyclohexylmethylene)-4-methylbenzenesulfonohydrazide; With trifluorormethanesulfonic acid; In 1,2-dichloro-ethane; at 20 ℃; for 0.166667h; Inert atmosphere;

phenylacetylene; In 1,2-dichloro-ethane; for 12h; Inert atmosphere; Reflux;

DOI:10.1055/s-0032-1316584

Reference yield: 77.0%

(E)-1-Cyclohexyl-3-phenyl-3-{N'-[1-phenyl-eth-(E)-ylidene]-hydrazino}-allylideneamine (90861-42-0) → 3-cyclohexyl-5-phenyl-1H-pyrazole (90861-53-3)

Guidance literature:

With sulfuric acid; In tetrahydrofuran; for 4h; Ambient temperature;

Reference yield:

1-cyclohexyl-3-phenylprop-2-yn-1-one (16616-46-9) → 3-cyclohexyl-5-phenyl-1H-pyrazole (90861-53-3)

Guidance literature:

With hydrazine hydrate; In tetrahydrofuran; acetonitrile; at 20 ℃; for 16h;

DOI:10.1016/j.tetlet.2008.03.153

upstream raw materials:

(E)-1-Cyclohexyl-3-phenyl-3-{N'-[1-phenyl-eth-(E)-ylidene]-hydrazino}-allylideneamine

cyclohexane carbonitrile

acetophenonazine

1-cyclohexyl-3-phenylprop-2-yn-1-one

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