| Identification | Back Directory | [Name]
Methyl trans-3-hydroxycyc... | [CAS]
63485-51-8 | [Synonyms]
Methyl trans-3-hydroxycyc...
3r)-Methyl 3-hydroxycyclobutanecarboxylate
trans-Methyl 3-hydroxycyclobutanecarboxylate
Methyl trans-3-hydroxycyclobutanecarboxylate
(1s,3s)-3-hydroxycyclobutane-1-carboxylic acid
methyl(1r,3r)-3-hydroxycyclobutane-1-carboxylate
trans-3-Hydroxy-cyclobutane-carboxylic acid methyl ester
methyl (1r,3r)-3-hydroxycyclobutane-1-carboxylate, trans
Cyclobutanecarboxylic acid, 3-hydroxy-, Methyl ester, trans- | [Molecular Formula]
C6H10O3 | [MDL Number]
MFCD18483114 | [MOL File]
63485-51-8.mol | [Molecular Weight]
130.142 |
| Chemical Properties | Back Directory | [Boiling point ]
190.2±33.0 °C(Predicted) | [density ]
1.232±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
liquid | [pka]
14.73±0.40(Predicted) | [color ]
Pale yellow | [InChI]
InChI=1S/C6H10O3/c1-9-6(8)4-2-5(7)3-4/h4-5,7H,2-3H2,1H3/t4-,5- | [InChIKey]
BYKHAEUVLSBWSU-URHBZAFASA-N | [SMILES]
[C@@H]1(C(OC)=O)C[C@@H](O)C1 |
| Hazard Information | Back Directory | [Uses]
Trans-methyl 3-hydroxycyclobutanecarboxylate is used as Laboratory chemicals, manufacture of substances. | [Health Hazard]
Causes skin irritation;Causes serious eye irritation;May cause respiratory irritation. | [Synthesis]
Methyl trans-3-benzyloxycyclobutanecarboxylate (680 mg, 3.09 mmol) was used as starting material and dissolved in methanol to prepare a 0.05 M solution. The solution was passed through an H-Cube?flow hydrogenation system equipped with a 10% Pd/C catalyst cartridge, and the reaction conditions were set to 10 bar hydrogen pressure and 40 °C. The flow rate was set to 1 mL/min. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure to afford the target product methyl trans-3-hydroxycyclobutanecarboxylate (380 mg, 94.5% yield). The product was analyzed by thin layer chromatography (TLC) (unfolding agent: hexane/ethyl acetate, 1:1, v/v) with an Rf value of 0.38. Nuclear magnetic resonance hydrogen spectroscopy (1H NMR, 400 MHz, CDCl3) data were as follows: δ 2.18-2.25 (m, 2H), 2.55-2.61 (m, 2H), 3.01-3.08 (m, 1H), 3.70 ( s, 3H), 4.53-4.61 (m, 1H). | [References]
[1] Patent: US2009/118287, 2009, A1. Location in patent: Page/Page column 72-73 |
|
|