L-Ornithine, methyl ester, hydrochloride (1:2)
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L-Ornithine, methyl ester, hydrochloride (1:2)
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CAS No:
40216-82-8
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Formula:
C6H14N2O2.2ClH
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Chemical Name:
L-Ornithine, methyl ester, hydrochloride (1:2)
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Synonyms:
L-Ornithine,methyl ester,hydrochloride (1:2);L-Ornithine,methyl ester,dihydrochloride;Ornithine,methyl ester,dihydrochloride,L-;(S)-Methyl 2,5-diaminopentanoate dihydrochloride
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CAS No:
L-Ornithine, methyl ester, hydrochloride (1:2) Basic Attributes
219.11
218.058884
254-841-5
DTXSID30193212
2922499990
L-Ornithine, methyl ester, hydrochloride (1:2) Use and Manufacturing
L-Ornithine hydrochloride (180 g, 1.07 mol) dissolvedin MeOH (1800 mL) was stirred for 30 min at 0 C under Ar. Thionyl chloride (160 mL, 2.19 mol) wasadded dropwise over 40 min at 0 C. The solution was stirred for 30 min at 0 C and refluxed for 6 h, andthen solvent was removed in vacuo to give methyl L-ornithinate dihydrochloride (232.1 g). MethylL-ornithinate dihydrochloride (223 g, 1.02 mol) dissolved in MeOH (2500 mL) was stirred at 0 C underAr. NaOMe (116 g, 2.15 mol) was added, and the solution was stirred for 2 h at room temperature. Afterremoval of the solvent in vacuo, the residue dissolved in Et2O (600 mL) was stirred at room temperature.After filtration through celite, the solvent was removed in vacuo. The residue was dissolved in MeOH(400 mL), and then MeOH saturated with HCl (100 mL) was added to give the crude product.Recrystallization from MeOH-isopropyl alcohol (1:1) provided (S)-3-aminopiperidin-2-one hydrochloride(2: 131.2 g, yield 86percent)
Computed Properties
Molecular Weight:219.11
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:218.0588831
Monoisotopic Mass:218.0588831
Topological Polar Surface Area:78.3
Heavy Atom Count:12
Complexity:106
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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L-Ornithine, methyl ester, hydrochloride (1:2)
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