4-[(5S)-3,5-Bis(4-Methoxyphenyl)-4,5-Dihydropyrazol-1-Yl]-4-Oxobutyric acid
[CAS# 337482-89-0]

Identification

• Name: 4-[(5S)-3,5-Bis(4-Methoxyphenyl)-4,5-Dihydropyrazol-1-Yl]-4-Oxobutyric acid
• Synonyms: 4-[(5S)-3,5-Bis(4-Methoxyphenyl)-4,5-Dihydropyrazol-1-Yl]-4-Oxo-Butanoate; 4-[(5S)-3,5-Bis(4-Methoxyphenyl)-4,5-Dihydropyrazol-1-Yl]-4-Keto-Butyrate; Zinc04856274
• Molecular Formula: C₂₁H₂₁N₂O₅
• Molecular Weight: 381.41
• CAS Registry Number: 337482-89-0
• SMILES: [C@@H]1(N(N=C(C1)C2=CC=C(OC)C=C2)C(=O)CCC([O-])=O)C3=CC=C(OC)C=C3
• InChI: 1S/C21H22N2O5/c1-27-16-7-3-14(4-8-16)18-13-19(15-5-9-17(28-2)10-6-15)23(22-18)20(24)11-12-21(25)26/h3-10,19H,11-13H2,1-2H3,(H,25,26)/p-1/t19-/m0/s1
• InChIKey: QEDYFXWEZZCDMU-IBGZPJMESA-M

Properties

• Boiling point: 584.418°C at 760 mmHg (Cal.)
• Flash point: 307.245°C (Cal.)