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| | Creatine ethyl ester hydrochloride Basic information |
| Product Name: | Creatine ethyl ester hydrochloride | | Synonyms: | CREATINE ETHYL ESTER HYDROCHLORIDE;CREATINE ETHYL ESTER HCL (P);Creatine ethyl ester hydrochloridel;Ethyl N-carbamimidoyl-N-methylglycinate hyd;CREATINE ETHYL ESTER HCL(SH);Ethyl 2-(1-Methylguanidino)acetate hydrochloride;Glycine,N-(aMinoiMinoMethyl)-N-Methyl-, ethyl ester, hydrochloride (1:1);Creatine ethyl ester hydrochloride[3] | | CAS: | 15366-32-2 | | MF: | C6H14ClN3O2 | | MW: | 195.65 | | EINECS: | 000-000-0 | | Product Categories: | | | Mol File: | 15366-32-2.mol |  |
| | 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 |
| | Creatine ethyl ester hydrochloride Preparation Products And Raw materials |
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