| Identification | Back Directory | [Name]
1-Methylpyrrolidine-2-carboxylic acid | [CAS]
68078-09-1 | [Synonyms]
proline, 1-methyl- N-methyl DL-proline 1-Methyl-DL-proline DL-Proline, 1-methyl- 1-methylproline(SALTDATA: HCl) 1-Methylpyrrolidine-2-carboxylic acid | [Molecular Formula]
C6H11NO2 | [MOL File]
68078-09-1.mol | [Molecular Weight]
129.16 |
| Chemical Properties | Back Directory | [Melting point ]
116 °C | [Boiling point ]
227.1±33.0 °C(Predicted) | [density ]
1.153±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
2.37±0.20(Predicted) | [Appearance]
White to yellow Solid | [InChI]
InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1 | [InChIKey]
CWLQUGTUXBXTLF-YFKPBYRVSA-N | [SMILES]
C(O)(=O)[C@@H]1CCCN1C |
| Hazard Information | Back Directory | [Synthesis]
GENERAL METHOD: L-proline (2.0 g, 17.4 mmol) was dissolved in methanol (20 mL), to which 40% aqueous formaldehyde (1.4 mL, 19.1 mmol) was subsequently added. Next, 10% Pd/C catalyst (500 mg) was added to the reaction mixture and the resulting slurry was stirred overnight under hydrogen atmosphere. Upon completion of the reaction, the slurry was filtered through a diatomaceous earth pad to remove the catalyst. The diatomaceous earth pad was washed with methanol and the filtrates were combined and concentrated under reduced pressure. The residue was dissolved in a solvent mixture of ethanol/benzene (1:1, 100 mL) and concentrated again under reduced pressure to give a solid product. Finally, the product was purified by recrystallization from methanol/ether mixed solvent to give N-methyl-L-proline (7a) as fine needle-like crystals (2.1 g, 92% yield); melting point 109-111 °C; 1H NMR (D2O, 300 MHz): δ= 3.95-3.90 (1H, m, CH2(CH2)2CHNCH3), 3.24-3.15 (2H , m, CH2(CH2)2CHNCH3), 2.97 (3H, s, CH2(CH2)2CHNCH3), 2.22-2.01 (4H, m, CH2(CH2)2CHNCH3); ESI-MS (m/z): 130.2 [M + H]+ (100). | [References]
[1] Journal of Organic Chemistry, 2003, vol. 68, # 7, p. 2652 - 2667 [2] Green Chemistry, 2016, vol. 18, # 16, p. 4374 - 4392 [3] European Journal of Organic Chemistry, 2005, # 5, p. 934 - 938 [4] Tetrahedron Letters, 2007, vol. 48, # 43, p. 7680 - 7682 [5] Medicinal Chemistry Research, 2016, vol. 25, # 6, p. 1148 - 1162 |
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