4-AMINO-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HCL
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4-AMINO-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HCL
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CAS No:
217299-03-1
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Formula:
C6H12ClNO3
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Chemical Name:
4-AMINO-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HCL
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Synonyms:
4-AMinooxane-4-carboxylic acid hydrochloride;-Aminotetrahydro-2H-pyran-4-carboxylic acid hydrochloride;4-aminotetrahydro-2H-pyran-4-carboxylic acid, HCl;4-AMINO-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HCL;4-AMINO-4-CARBOXYTETRAHYDROPYRAN HYDROCHLORIDE;4-Amino-4-carboxytetrahydropyran hydrochloride,95%
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CAS No:
4-AMINO-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HCL Basic Attributes
181.62
181.05100
DTXSID50370285
2932999099
4-AMINO-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HCL Use and Manufacturing
To a suspension of Intermediate (3') 4-Amino-tetrahvdropyran-4-carboxylic acid methyl ester hydrochloride; 4-Amino-tetrahydropyran-4-carboxylic acid hydrochloride (0.025 mols) is suspended in 13 ml of CH3OH5 cooled to -600C and dropwise added with SOCl2 (3 eq) under stirring. After completion of the addition, the mixture is left to warm to room temperature, then gradually heated to ebullition to obtain a clear solution (approx. 2 hours), which is cooled, the residue is filtered and concentrated under vacuum.Yield 80%. Purity (NMR): 85%.1H-NMR (DMSO-d6): delta (ppm) 1.91-2.04 (m, 4H), 3.78 (s, 3H)5 3.60-3.85 (m, 4H), 9.00 (s, 3H). ESI(+)MS: m/z 160.1 [M+H]+.(4-Amino-tetrahydropyran-4-yl)-methanol is prepared by adding LAH (99%, 1.2 g), portionwise, to a stirred mixture of
Computed Properties
Molecular Weight:181.62
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:181.0505709
Monoisotopic Mass:181.0505709
Topological Polar Surface Area:72.6
Heavy Atom Count:11
Complexity:140
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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4-AMINO-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HCL
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