Creatine ethyl ester hydrochloride Chemical Properties

Melting point:

162-165°C

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

Appearance

White to off-white Solid

InChI

InChI=1S/C6H13N3O2.ClH/c1-3-11-5(10)4-9(2)6(7)8;/h3-4H2,1-2H3,(H3,7,8);1H

InChIKey

SZZVKHCNEZPXOL-UHFFFAOYSA-N

SMILES

C(=O)(OCC)CN(C)C(N)=N.Cl

Creatine ethyl ester hydrochloride Usage And Synthesis

Synthesis

Creatine ethyl ester hydrochloride is prepared by the reaction of ethanol and creatine. The specific synthesis steps are as follows:
Phosphorochloridic acid (2.0-2.5 equivalents to creatine) was added dropwise to a suspension of creatine in 10 mL of ethanol at 0° C. The reaction mixture was stirred for 15 min at 0° C. and the temperature then raised to 60° C. and stirred for 30 min. The reaction mixture was then cooled to provide 1.7 g of the hydrochloride salt of title compound (24) (73percent yield) as a white solid. 1H NMR (CD3OD, 400 MHz): δ 4.20-4.30 (m, 4H), 3.16(s, 3H, creatinine NCH3), 3.08 (s, 3H, CBE NCH3), 1.31 (d, J=6.8 Hz), (CBE/creatinine=9:1).

References

[1] Patent: US2007/281909, 2007, A1. Location in patent: Page/Page column 53-54
[2] Patent: US2005/49428, 2005, A1. Location in patent: Page/Page column 3-4
[3] Biochemische Zeitschrift, 1925, vol. 156, p. 186
[4] Journal of Biological Chemistry, 1922, vol. 54, p. 672
[5] Patent: US2006/67880, 2006, A1. Location in patent: Page/Page column 1

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