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19878-18-3

19878-18-3 Structure

19878-18-3 Structure
IdentificationBack Directory
[Name]

(1r,4r)-ethyl 4-(aMinoMethyl)cyclohexanecarboxylate hydrochloride
[CAS]

19878-18-3
[Synonyms]

Tranexamic Acid Ethyl Ester Hydrochloride
Ethyl trans-4-(aminomethyl)cyclohexanecarboxylate HCl
ethyl 4-(aminomethyl)cyclohexane-1-carboxylate hydrochloride
trans-Ethyl 4-(aMinoMethyl)cyclohexanecarboxylate hydrochloride
Ethyl trans-4-(Aminomethyl)cyclohexanecarboxylate Hydrochloride
(1r,4r)-ethyl 4-(aMinoMethyl)cyclohexanecarboxylate hydrochloride
trans-Ethyl (1r,4r)-4-(aminomethyl)cyclohexane-1-carboxylate hydrochloride
[Molecular Formula]

C10H20ClNO2
[MDL Number]

MFCD28134591
[MOL File]

19878-18-3.mol
[Molecular Weight]

221.724
Chemical PropertiesBack Directory
[storage temp. ]

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

White to off-white Solid
Spectrum DetailBack Directory
[Spectrum Detail]

(1r,4r)-ethyl 4-(aMinoMethyl)cyclohexanecarboxylate hydrochloride(19878-18-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

Ethanol

64-17-5

Tranexamic Acid

1197-18-8

(1r,4r)-ethyl 4-(aMinoMethyl)cyclohexanecarboxylate hydrochloride

19878-18-3

First, trans-4-(aminomethyl)cyclohexane ethylcarboxylic acid hydrochloride was synthesized using trans-4-(aminomethyl)cyclohexanecarboxylic acid purchased from TCI (Japan) as starting material. Trans-4-(aminomethyl)cyclohexanecarboxylic acid (1.57 g, 10 mmol) was dissolved in 40 mL of ethanol at 0 °C with continuous stirring. Thionyl chloride (0.9 mL, 12 mmol) was slowly added dropwise to the reaction system, kept at low temperature and stirring was continued for 10 minutes. Subsequently, the reaction mixture was warmed to 70 °C and refluxed for 1 hour. After completion of the reaction, the mixture was cooled to room temperature. The solvent was thoroughly evaporated under reduced pressure and the resulting residue was washed twice with hexane (25 mL) to remove residual solvent. Finally, the product was dried under vacuum for 6 h to give a white solid trans-4-(aminomethyl)cyclohexane ethylcarboxylic acid hydrochloride in a yield of 2.13 g (96% yield). The product was characterized by 1H NMR (d6-DMSO): δ= 4.03 (q, J = 7.08,2H, OCH2CH3), 2.61 (m, 1H, H13), 2.21 (m, 1H, H10), 1.85 (m, 2H, H9), 1.27 (m, 4H, H12, H11), 1.16 (t, J = 7.06,3H. OCH2CH3), 0.96 (m, 4H, H12, H11). Elemental analysis results (C10H20ClNO2) Calculated values: C, 54.17; H, 9.09; N, 6.32. Measured values: C, 53.78; H, 8.91; N, 6.34.

[References]

[1] Patent: US2013/231475, 2013, A1. Location in patent: Paragraph 0043-0045
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