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153559-46-7

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153559-46-7 Structure

153559-46-7 Structure
IdentificationBack Directory
[Name]

4-[(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoic acid
[CAS]

153559-46-7
[Synonyms]

LG-100064
4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)
4-(3,5,5,8,8-pentaMethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoic acid
4-[(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-phthalenyl)carbonyl]benzoic acid
4-[(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoic acid
Benzoic acid, 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]-
[Molecular Formula]

C23H26O3
[MDL Number]

MFCD13191327
[MOL File]

153559-46-7.mol
[Molecular Weight]

350.45
Chemical PropertiesBack Directory
[Melting point ]

198-199 °C
[Boiling point ]

491.4±45.0 °C(Predicted)
[density ]

1.095
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly, Heated, Sonicated), Methanol (Slightly)
[form ]

Solid
[pka]

3.74±0.10(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C23H26O3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24)15-6-8-16(9-7-15)21(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,25,26)
[InChIKey]

QADGBOQVBUXZKO-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=C(C(C2=C(C)C=C3C(=C2)C(C)(C)CCC3(C)C)=O)C=C1
Hazard InformationBack Directory
[Uses]

4-[(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoic Acid is used in the preparation of pentamethylnaphthylmethylbenzoates as a selective retinoid X receptor ligands that induce apoptosis in leukemia cells.
Spectrum DetailBack Directory
[Spectrum Detail]

4-[(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoic acid(153559-46-7)1HNMR
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