Methyl 2-[5-[[(2R)-2-[2,4-Bis(2-Methylbutan-2-Yl)Phenoxy]Butanoyl]Amino]-3-Chloro-4-Hydroxy-2-Methylphenoxy]Acetate
[CAS# 72828-81-0]

Identification

• Name: Methyl 2-[5-[[(2R)-2-[2,4-Bis(2-Methylbutan-2-Yl)Phenoxy]Butanoyl]Amino]-3-Chloro-4-Hydroxy-2-Methylphenoxy]Acetate
• Synonyms: Methyl 2-[5-[[(2R)-2-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]Butanoyl]Amino]-3-Chloro-4-Hydroxy-2-Methyl-Phenoxy]Acetate; 2-[5-[[(2R)-2-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]-1-Oxobutyl]Amino]-3-Chloro-4-Hydroxy-2-Methylphenoxy]Acetic Acid Methyl Ester; 2-[3-Chloro-5-[[(2R)-2-(2,4-Ditert-Amylphenoxy)Butanoyl]Amino]-4-Hydroxy-2-Methyl-Phenoxy]Acetic Acid Methyl Ester
• Molecular Formula: C₃₀H₄₂ClNO₆
• Molecular Weight: 548.12
• CAS Registry Number: 72828-81-0
• SMILES: [C@H](C(NC1=CC(=C(C(=C1O)Cl)C)OCC(=O)OC)=O)(CC)OC2=CC=C(C=C2C(CC)(C)C)C(CC)(C)C
• InChI: 1S/C30H42ClNO6/c1-10-22(38-23-14-13-19(29(5,6)11-2)15-20(23)30(7,8)12-3)28(35)32-21-16-24(37-17-25(33)36-9)18(4)26(31)27(21)34/h13-16,22,34H,10-12,17H2,1-9H3,(H,32,35)/t22-/m1/s1
• InChIKey: PRZCTPIHLBDTIE-JOCHJYFZSA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 638.197°C at 760 mmHg (Cal.)
• Flash point: 339.769°C (Cal.)