4-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-Tetrahydro-2-Naphthalenyl)Vinyl]Benzoic Acid
[CAS# 166175-31-1]

Identification

• Name: 4-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-Tetrahydro-2-Naphthalenyl)Vinyl]Benzoic Acid
• Synonyms: "4-[1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl)-benzoic acid"
• Molecular Formula: C₂₄H₂₈O₂
• Molecular Weight: 348.48
• CAS Registry Number: 166175-31-1
• SMILES: CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C
• InChI: 1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
• InChIKey: NAVMQTYZDKMPEU-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 489.7±44.0°C at 760 mmHg (Cal.)
• Flash point: 229.5±23.1°C (Cal.)
• Refractive index: 1.556 (Cal.)
• solubility: Soluble in DMSO

References

• (1): Bechara et al.. Chemoselective synthesis of ketones and ketimines by addition of organometallic reagents to secondary amides, Nature Chemistry, 2012