ChemicalBook--->CAS DataBase List--->63485-51-8

63485-51-8

63485-51-8 Structure

63485-51-8 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H311-H331
[Precautionary statements ]

P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
[HS Code ]

2918999090
Questions And AnswerBack Directory
[Appearance]

Light yellow liquid
Hazard InformationBack 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]

Cyclobutanecarboxylic acid, 3-(phenylMethoxy)-, Methyl ester, trans-

84182-50-3

trans-Methyl 3-hydroxycyclobutanecarboxylate

63485-51-8

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
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl trans-3-hydroxycyc...(63485-51-8)1HNMR
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