| Identification | Back Directory | [Name]
TRANS-CYCLOBUTANE-1,2-DICARBOXYLIC ACID | [CAS]
1124-13-6 | [Synonyms]
usafst-3
USAF st-3
NSC 527264
RARECHEM AL BO 2332
SPECS AB-131/40227215
1,2-Cyclobutanedicarboxylic acid
(e)-2-cyclobutanedicarboxylicacid
TRANS-1,2-CYCLOBUTANEDICARBOXYLIC ACID
1,2-Cyclobutanedicarboxylic acid, (E)-
TRANS-CYCLOBUTANE-1,2-DICARBOXYLIC ACID
rel-1α*,2β*-Cyclobutanedicarboxylic acid
1,2-Cyclobutanedicarboxylic acid, trans-
(1R,2R)-Cyclobutane-1,2-dicarboxylic acid
(1R,2R)(1S,2S)-Cyclobutane-1,2-dicarboxylic acid
trans-Cyclobutane-1,2-dicarboxylic acid (racemic)
trans-Cyclobutane-1,2-dicarboxylic acid | [EINECS(EC#)]
214-392-8 | [Molecular Formula]
C6H8O4 | [MDL Number]
MFCD00068260 | [MOL File]
1124-13-6.mol | [Molecular Weight]
144.13 |
| Questions And Answer | Back Directory | [Synthesis]
TRANS-CYCLOBUTANE-1,2-DICARBOXYLIC ACID can be prepared from adipic acid via a four-step reaction to obtain 1,2-cyclosuccinic acid, which is then heated in hydrochloric acid to yield pure TRANS-CYCLOBUTANE-1,2-DICARBOXYLIC ACID. 
| [Uses]
trans-1,2-cyclosuccinic acid can be used as a pharmaceutical synthesis intermediate. |
| Chemical Properties | Back Directory | [Melting point ]
125-131 °C
| [Boiling point ]
140 °C(Press: 2 Torr) | [density ]
1.509±0.06 g/cm3(Predicted) | [refractive index ]
1.4556 (589.3 nm 25℃) | [storage temp. ]
Sealed in dry,2-8°C | [form ]
solid | [pka]
pK1:3.79 ;pK2:5.61 (25°C) | [Appearance]
Light yellow to yellow Solid | [BRN ]
3198993 | [InChI]
InChI=1/C6H8O4/c7-5(8)3-1-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4-/s3 | [InChIKey]
SUSAGCZZQKACKE-QWWZWVQMSA-N | [SMILES]
[C@@H]1(C(O)=O)CC[C@H]1C(O)=O |&1:0,6,r| |
| Hazard Information | Back Directory | [General Description]
The interaction of the carboxyl groups in the fragmentation of the molecular ions of cis-cyclobutane-1,2-dicarboxylic acid helps to distinguish it from trans-cyclobutane-1,2-dicarboxylic acid. | [Purification Methods]
Crystallise the acid from *C6H6 or *C6H6/EtOAc. The diphenacyl ester has m 98o (from EtOH) and the p-bromodiphenacyl ester has m 158o (from EtOH). The cis-acid isomerizes to the trans-acid on heating in conc HCl at 190o. [Reed J Chem Soc 685 1951, Fison et al. J Am Chem Soc 51 1536 1929, Fison et al. J Am Chem Soc 56 1774 1934, pK: Bode Chem Ber 67 332 1934, Beilstein 9 IV 2788.] |
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