Tert-butyl (S)-(1-(3-fluorophenyl)-2-hydroxyethyl)carbamate Chemical Properties

Boiling point:

381.4±37.0 °C(Predicted)

Density 

1.162±0.06 g/cm3(Predicted)

pka

11.38±0.46(Predicted)

InChI

InChI=1S/C13H18FNO3/c1-13(2,3)18-12(17)15-11(8-16)9-5-4-6-10(14)7-9/h4-7,11,16H,8H2,1-3H3,(H,15,17)/t11-/m1/s1

InChIKey

PXLWDYOUWTYABH-LLVKDONJSA-N

SMILES

C(OC(C)(C)C)(=O)N[C@@H](C1=CC=CC(F)=C1)CO

Tert-butyl (S)-(1-(3-fluorophenyl)-2-hydroxyethyl)carbamate Usage And Synthesis

Physical properties

A white crystal,melting point:106.5 - 107.9

Uses

Tert-butyl (S)-(1-(3-fluorophenyl)-2-hydroxyethyl)carbamate is a useful research chemical for a range of applications.

Preparation

Amino alcohol hydrochloride (192.22 mmol) and di-f-butyl dicarbonate (262.63 mmol, 1.37 eq) were suspended in f-BuOH (250 mL, 6.25 volumes) and then treated with aqueous 2 N NaOH (120 mL, 240 mmol). The contents were warmed to 75 °C (immediate effervescence was observed) for 4 h. The internal temp was then reduced to 50 °C, and the contents were added to water (2 L) with vigorous stirring. Tert-butyl (S)-(1-(3-fluorophenyl)-2-hydroxyethyl)carbamate was obtained after purification.