3-Pyridylalanine
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3-Pyridylalanine
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CAS No:
17470-24-5
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Formula:
C8H10N2O2
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Chemical Name:
3-Pyridylalanine
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Synonyms:
H-BETA-(3-PYRIDYL)-DL-ALA-OH;H-DL-ALA(3'-PYRIDYL)-OH;H-DL-ALA(3-PYRI)-OH;BETA-(3-PYRIDYL)-DL-ALANINE;3-(3'-PYRIDYL)-DL-ALANINE;2-AMINO-3-PYRIDIN-3-YL-PROPIONIC ACID;RARECHEM AK ML 0054;H-DL-3-Pal-OH
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CAS No:
Characteristics
76.2
-2.5
1.271±0.06 g/cm3(Predicted)
262-263 °C
344.4±32.0 °C(Predicted)
162.1±25.1 °C
1.582
2-8°C
3-Pyridylalanine Use and Manufacturing
To a solution of 2-Amino-3-(pyridin-3-yl)propanoic acid (83 mg, 0.5 mmol) andphthalaldehyde (67 mg, 0.5 mmol) in CHC13 (3 mL) was added acetic acid (0.03 mL, 0.5 mmol) and the resulting mixture was heated to 80 C for 8 hrs. The reaction mixture was concentrated under reduced pressure and purified by preparative high performance liquid chromatography(HPLC) to obtain 2-(1-oxoisoindolin-2-yl) -3-(pyridin-3-yl)propanoic acid (100 mg, 71%) as a yellow solid. Rt = 0.38 mm; MS m/z: 283.25 [M+1].
Computed Properties
Molecular Weight:166.18
XLogP3:-2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:166.074227566
Monoisotopic Mass:166.074227566
Topological Polar Surface Area:76.2
Heavy Atom Count:12
Complexity:161
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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