1-Boc-1,2,5,6-tetrahydropyridine-3-carboxylic acid
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1-Boc-1,2,5,6-tetrahydropyridine-3-carboxylic acid
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CAS No:
86447-11-2
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Formula:
C11H17NO4
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Chemical Name:
1-Boc-1,2,5,6-tetrahydropyridine-3-carboxylic acid
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Synonyms:
1-BOC-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLIC ACID;1-(tert-butoxycarbonyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid;1-Boc-1,2,5,6-tetrahydropyridine-3-carboxylicacid;1-[(tert-butoxy)carbonyl]-1,2,5,6-tetrahydropyridine-3-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;PubChem12055;SCHEMBL2270068;CTK5F6661;KS-00000HCG;DTXSID70515792
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CAS No:
1-Boc-1,2,5,6-tetrahydropyridine-3-carboxylic acid Basic Attributes
227.26
227.115753
DTXSID70515792
2933399090
1-Boc-1,2,5,6-tetrahydropyridine-3-carboxylic acid Use and Manufacturing
1 (A) 5, 6-Dihydro-2H-pyridine-l, 3-dicarboxylic acid 1-tert-butyl ester; To a solution of l, 2, 5, 6-tetrahydro-pyridme-3-carboxylic acid hydrochloride (0.6 g, 3.66 mmol, ex Asinex) in water (15 mL) and dioxane (15 mL), IN NaOH was added to adjust the pH to 11. Diterbutyldicarbonate (0.88 g, 4.03 mmol) was then added in one portion and the reaction was kept under stirring overnight. The solvent was removed under reduced pressure and the resulting brown solid was dried in a vacuum oven at 5O0C overnight and used for the next step without further purification. LCMS (RT): 6.5 min (Method C); MS (ES+) gave m/z: 228.0, 128.0.
Computed Properties
Molecular Weight:227.26
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:227.11575802
Monoisotopic Mass:227.11575802
Topological Polar Surface Area:66.8
Heavy Atom Count:16
Complexity:327
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-Boc-1,2,5,6-tetrahydropyridine-3-carboxylic acid
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