| Identification | Back 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 Properties | Back 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 Information | Back 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. |
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