(2-Methoxyphenyl) 2-[[2-[1-Methyl-5-(4-Methylbenzoyl)Pyrrol-2-Yl]Acetyl]Amino]Acetate
[CAS# 104076-16-6]

Identification

• Name: (2-Methoxyphenyl) 2-[[2-[1-Methyl-5-(4-Methylbenzoyl)Pyrrol-2-Yl]Acetyl]Amino]Acetate
• Synonyms: 2-[[2-[1-Methyl-5-[(4-Methylphenyl)-Oxomethyl]-2-Pyrrolyl]-1-Oxoethyl]Amino]Acetic Acid (2-Methoxyphenyl) Ester; 2-[[2-[1-Methyl-5-(4-Methylbenzoyl)Pyrrol-2-Yl]Acetyl]Amino]Acetic Acid (2-Methoxyphenyl) Ester; (2-Methoxyphenyl) 2-[2-[1-Methyl-5-(4-Methylphenyl)Carbonyl-Pyrrol-2-Yl]Ethanoylamino]Ethanoate
• Molecular Formula: C₂₄H₂₄N₂O₅
• Molecular Weight: 420.46
• CAS Registry Number: 104076-16-6
• SMILES: C1=C([N](C(=C1)CC(NCC(OC2=CC=CC=C2OC)=O)=O)C)C(C3=CC=C(C)C=C3)=O
• InChI: 1S/C24H24N2O5/c1-16-8-10-17(11-9-16)24(29)19-13-12-18(26(19)2)14-22(27)25-15-23(28)31-21-7-5-4-6-20(21)30-3/h4-13H,14-15H2,1-3H3,(H,25,27)
• InChIKey: CWJNMKKMGIAGDK-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 663.3±55.0°C at 760 mmHg (Cal.)
• Flash point: 354.9±31.5°C (Cal.)

References

• (1): Ben-Yong Lou, Xia Guo and Qi Lin . 2-Methoxyphenyl 2-{2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetamido}acetate , Acta Cryst (2008). E64, o1439Â Â