| Identification | Back Directory | [Name]
tert-Butyl 3-(2-hydroxyethoxy)propanoate | [CAS]
671802-00-9 | [Synonyms]
HO-PEG1-CH2CH2COOTBU
OH-PEG1-CH2CH2COOtBu
HO-PEG1-t-Butyl ester
Hydroxy-PEG1-(CH2)2-Boc
Hydroxy-PEG1-t-butyl ester
tert-Butyl 3-(2-hydroxyethoxy)propanoate
3-(2-Hydroxyethoxy)propanoic acid tert-butyl ester
3-(2-hydroxyethoxy)propionic acid tert-butyl ester
3-(2-Hydroxyethoxy)propanoic acid 1,1-dimethylethyl ester
Propanoic acid, 3-(2-hydroxyethoxy)-, 1,1-dimethylethyl ester | [Molecular Formula]
C9H18O4 | [MDL Number]
MFCD22056310 | [MOL File]
671802-00-9.mol | [Molecular Weight]
190.24 |
| Chemical Properties | Back Directory | [Boiling point ]
274.0±15.0 °C(Predicted) | [density ]
1.031±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,2-8°C | [form ]
liquid | [pka]
14.36±0.10(Predicted) | [color ]
Yellowish | [Water Solubility ]
Water: 100 mg/mL (525.65 mM) | [InChI]
InChI=1S/C9H18O4/c1-9(2,3)13-8(11)4-6-12-7-5-10/h10H,4-7H2,1-3H3 | [InChIKey]
ACWLDITVZGWIKA-UHFFFAOYSA-N | [SMILES]
C(OC(C)(C)C)(=O)CCOCCO |
| Hazard Information | Back Directory | [Description]
Hydroxy-PEG1-t-butyl ester is a PEG linker containing a hydroxyl group with a t-butyl ester. The hydrophilic PEG spacer increases solubility in aqueous media. The hydroxyl group enables further derivatization or replacement with other reactive functional groups. The t-butyl protected carboxyl group can be deprotected under acidic conditions. | [Uses]
tert-Butyl 3-(2-hydroxyethoxy)propanoate is a reactant in the synthesis of hydrophilic aminooxy linked and multivalent disaccharide cellobiose derivatives for chemoselective aldehyde/ketone conjugation | [Synthesis]
To a solution of anhydrous ethylene glycol (10 g, 161.1 mmol) in anhydrous THF (40 mL) was added sodium metal (62.0 mg, 2.70 mmol) and stirred at room temperature for 2 hours.Add tert-butyl acrylate (6.90, 53.7 mmol) and stir overnight.After quenching with water, the solvent was THF dried under reduced pressure, and extracted with ethyl acetate and water.The organic layer was separated, washed with brine, and dried over Na 2 SO 4.After filtration and evaporation, the residue was purified by silica gel column chromatography (petroleum ether/ethyl acetate = 2:1) to obtain a colorless oil 44 (5.0 g, 26.3 mmol, 49% yield) | [IC 50]
PEGs; Alkyl/ether | [References]
[1] Patent: WO2012/166560, 2012, A1. Location in patent: Page/Page column 171-172
[2] Patent: WO2013/192360, 2013, A1. Location in patent: Paragraph 00490
[3] Patent: WO2013/185117, 2013, A1. Location in patent: Paragraph 00476
[4] Patent: EP2409977, 2012, A1. Location in patent: Page/Page column 66
[5] Synthetic Communications, 2004, vol. 34, # 13, p. 2425 - 2432 |
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T&W GROUP
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