Diantipyrylmethane

Base Information

• Chemical Name: Diantipyrylmethane
• CAS No.: 1251-85-0
• Deprecated CAS: 47545-55-1
• Molecular Formula: C23H24N4O2
• Molecular Weight: 388.469
• Hs Code.: 29331990
• European Community (EC) Number: 215-009-7
• NSC Number: 60670
• DSSTox Substance ID: DTXSID2061640
• Nikkaji Number: J1.765E
• Wikidata: Q69756798
• ChEMBL ID: CHEMBL85233
• Mol file: 1251-85-0.mol

Synonyms:Diantipyrylmethane;1251-85-0;4,4'-Methylenediantipyrine;4,4'-Methylenebis(1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one);Bisantipyrylmethane;Diantipyryl methane;Diantipyrinylmethane;3H-Pyrazol-3-one, 4,4'-methylenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-;4,4'-Diantipyrylmethane;Antipyrine, 4,4'-methylenedi-;C23H24N4O2;4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one;EINECS 215-009-7;MFCD00003147;NSC 60670;trichachnine;3H-Pyrazol-3-one, 4,4'-methylenebis(1,2-dihydro-1,5-dimethyl-2-phenyl-;4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one;4,4'-Diantipyrylmethane monohydrate;Diantipyrylmethan;4,4'-Methylenebis(1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one);4,4'-methylenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one];NSC60670;4-4'-Diantipyrylmethane;ChemDiv2_001377;Antipyrine,4'-methylenedi-;Oprea1_189735;4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one;MLS000554200;CHEMBL85233;SCHEMBL3879841;DTXSID2061640;4,4 Diantipyrylmethane monohydrate;HMS1372M13;HMS2584J09;4,4-Diantipyrylmethane Monohydrate;AMY22518;BAA25185;CCG-21478;NSC-60670;STK873672;3H-Pyrazol-3-one, 4,4'-methylenebis[1,2-dihydro- 1,5-dimethyl-2-phenyl-;AKOS000361498;CS-W009738;4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one;NCGC00246258-01;SMR000146517;D1029;EU-0079791;FT-0624620;EN300-19746;E75799;AF-407/31882031;W-108404;4,4'-Diantipyrylmethane Monohydrate [for Ti Analysis];BRD-K06968280-001-07-3;4,4'-Methylenebis[1,5-dimethyl-2-phenyl-3-pyrazolone;Z104475040;3H-Pyrazol-3-one, 4,4'-methylenebis*1,2-dihydro-1,5-dimethyl-2-phenyl-;3H-Pyrazol-3-one,4'-methylenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-;3H-Pyrazol-3-one,4,4'-methylenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-;4,4'-methanediylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one);4,4 -Diantipyrylmethane Monohydrate, for Ti Analysis pound not inverted exclamation markY 98.0%

Chemical Property of Diantipyrylmethane

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 156 °C (dec.)(lit.)
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 515.177 °C at 760 mmHg
• PKA: 1.26±0.65(Predicted)
• Flash Point: 212.494 °C
• PSA: 53.86000
• Density: 1.232 g/cm³
• LogP: 2.87300
• Storage Temp.: Store at +15°C to +25°C.
• Solubility.: 0.431g/l (experimental)
• Water Solubility.: 439mg/L(20 oC)
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 388.18992602
• Heavy Atom Count: 29
• Complexity: 682

Purity/Quality:

98%,99%, ^*data from raw suppliers

4,4''-Methylenebis(1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Technology Process of Diantipyrylmethane

There total 17 articles about Diantipyrylmethane 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: 79.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + antipyrine (60-80-0) + 2-hydroxyethanethiol (60-24-2) → 4-[({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H- pyrazol-4-yl)methoxy]ethyl}sulfanyl)methyl]-1,5-dimethyl-2-pheny l-1,2-dihydro-3H-pyrazol-3-one + diantipyrinylmethane (1251-85-0)

Guidance literature:

formaldehyd; 2-hydroxyethanethiol; With succimer; In water; at 20 ℃; for 0.666667h; Green chemistry;

antipyrine; With indium(III) chloride; In water; at 80 ℃; for 6h; Green chemistry;

DOI:10.1016/j.molstruc.2020.129734

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + antipyrine (60-80-0) → diantipyrinylmethane (1251-85-0)

Guidance literature:

With hydrogenchloride; water;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) → diantipyrinylmethane (1251-85-0)

Guidance literature:

With water; zinc(II) chloride; at 120 ℃;

upstream raw materials:

formaldehyd

antipyrine

formamide

4-aminomethyl-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one

Refernces