| Identification | Back Directory | [Name]
4-METHOXYCARBONYLCUBANECARBOXYLIC ACID | [CAS]
24539-28-4 | [Synonyms]
4-METHOXYCARBONYLCUBANECARBOXYLIC ACID
4-(Methoxycarbonyl)cubane-1-carboxylic acid
8-(methoxycarbonyl)cubane-1-carboxylic acid
4-Methoxycarbonylcubanecarboxylic acid >=97%
Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylicacid, 1-methyl ester | [Molecular Formula]
C11H10O4 | [MDL Number]
MFCD08458189 | [MOL File]
24539-28-4.mol | [Molecular Weight]
206.19 |
| Chemical Properties | Back Directory | [Melting point ]
181°C | [Boiling point ]
341.5±42.0 °C(Predicted) | [density ]
1.956 | [Fp ]
141.4℃ | [storage temp. ]
Store at room temperature | [form ]
powder or crystals | [pka]
4.24±0.40(Predicted) | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C11H10O4/c1-15-9(14)11-5-2-6(11)4-7(11)3(5)10(2,4)8(12)13/h2-7H,1H3,(H,12,13) | [InChIKey]
ARRJEFLYRAVFJA-UHFFFAOYSA-N | [SMILES]
C12(C(OC)=O)C3C4C5(C(O)=O)C3C1C5C42 |
| Hazard Information | Back Directory | [Uses]
4-Methoxycarbonylcubanecarboxylic Acid is a cubane derivative being studied for its potential to act as a benzene bioisostere. | [Application]
4-Methoxycarbonylcubanecarboxylic acid is a tertiary carboxylic acid that can undergo iododecarboxylation using 1,3-diiodo-5,5-dimethylhydantoin (DIH) as both reaction initiator and iodine source under irradiative conditions. This product was previously listed as BML00136. |
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