3h-Pyrazol-3-one, 4,4'-butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-

Base Information

• Chemical Name: 3h-Pyrazol-3-one, 4,4'-butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-
• CAS No.: 1461-17-2
• Deprecated CAS: 61358-29-0
• Molecular Formula: C26H30N4O2
• Molecular Weight: 430.55
• DSSTox Substance ID: DTXSID9061708
• Nikkaji Number: J1.699.911C,J421.571K
• Wikidata: Q81989613
• ChEMBL ID: CHEMBL1504795
• Mol file: 1461-17-2.mol

Synonyms:1461-17-2;3h-pyrazol-3-one, 4,4'-butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-;4,4'-Butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one];4-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butyl]-1,5-dimethyl-2-phenylpyrazol-3-one;3H-Pyrazol-3-one, 4,4'-butylidenebis(1,2-dihydro-1,5-dimethyl-2-phenyl-;4,4/'-Butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one];Diantipyrylpropylmethane;SMR000054964;Oprea1_051549;Oprea1_546761;MLS000105035;CHEMBL1504795;DTXSID9061708;SCHEMBL11301428;HMS2347D13;STL446681;4,4'-(butane-1,1-diyl)bis(1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one);AKOS005222473;AB00438618-09;4,4'-butane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one);4-[1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

Chemical Property of 3h-Pyrazol-3-one, 4,4'-butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-

Chemical Property:

• Refractive Index: 1.6000 (estimate)
• Boiling Point: 543.3oC at 760 mmHg
• Flash Point: 214.3oC
• PSA: 53.86000
• Density: 1.186g/cm3
• LogP: 4.21420
• Water Solubility.: 60mg/L(20 oC)
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 430.23687621
• Heavy Atom Count: 32
• Complexity: 741

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Technology Process of 3h-Pyrazol-3-one, 4,4'-butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-

There total 1 articles about 3h-Pyrazol-3-one, 4,4'-butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl- 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:

antipyrine (60-80-0) + butyraldehyde (123-72-8) → 1,5,1',5'-tetramethyl-2,2'-diphenyl-1,2,1',2'-tetrahydro-4,4'-butane-1,1-diyl-bis-pyrazol-3-one (1461-17-2,61358-29-0)

Guidance literature:

With hydrogenchloride;

Reference yield:

1-Phenyl-4,4,4-trifluorobutane-1,3-dione (326-06-7) + neodymium trichloride (10024-93-8) + 1,5,1',5'-tetramethyl-2,2'-diphenyl-1,2,1',2'-tetrahydro-4,4'-butane-1,1-diyl-bis-pyrazol-3-one (1461-17-2,61358-29-0) → Nd(3+)*3CF3COCHCOC6H5(1-)*C26H30N4O2=Nd(CF3C(O)CHC(O)C6H5)3((C3(O)(CH3)2N2(C6H5))2C4H8)

Guidance literature:

In ethanol; water; mixing aq. soln. of NdCl3 with ethanolic soln. of β-diketone and ethanolic soln. of org. base in presence of acetate ammonia buffer or urotropin with pH 7.0 (molar ratio 1:5:5); not isolated;

Reference yield:

neodymium trichloride (10024-93-8) + 1,5,1',5'-tetramethyl-2,2'-diphenyl-1,2,1',2'-tetrahydro-4,4'-butane-1,1-diyl-bis-pyrazol-3-one (1461-17-2,61358-29-0) + 1-phenylbutan-1,3-dione (93-91-4) → Nd(3+)*3CH3COCHCOC6H5(1-)*C26H30N4O2=Nd(CH3C(O)CHC(O)C6H5)3((C3(O)(CH3)2N2(C6H5))2C4H8)

Guidance literature:

In ethanol; water; mixing aq. soln. of NdCl3 with ethanolic soln. of β-diketone and ethanolic soln. of org. base in presence of acetate ammonia buffer or urotropin (molar ratio 1:5:5); not isolated;

upstream raw materials:

antipyrine

butyraldehyde