56380
2-羟基吡啶
purum, ≥97.0% (HPLC)
别名:
2(1H)-吡啶酮, 2-吡啶醇
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关于此项目
经验公式（希尔记法）:
C5H5NO
化学文摘社编号:
分子量:
95.10
EC Number:
205-520-3
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
105757
MDL number:
grade
purum
assay
≥97.0% (HPLC)
impurities
~1% water
bp
280-281 °C (lit.)
mp
104-108 °C, 105-107 °C (lit.)
SMILES string
Oc1ccccn1
InChI
1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
InChI key
UBQKCCHYAOITMY-UHFFFAOYSA-N
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Other Notes
制备 1-(烯基)-2-吡啶酮的离析物，可用于 Diels-Alder 反应
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral
存储类别
6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
法规信息
新产品
此项目有
P.S. Mariano et al.
Tetrahedron, 34, 2609-2609 (1978)
Felix Plasser et al.
The Journal of chemical physics, 137(22), 22A514-22A514 (2012-12-20)
In this work, the advantages of a locally diabatic propagation of the electronic wave function in surface hopping dynamics proceeding on adiabatic surfaces are presented providing very stable results even in challenging cases of highly peaked nonadiabatic interactions. The method
Susan Blaser et al.
Chemphyschem : a European journal of chemical physics and physical chemistry, 12(10), 1841-1850 (2011-05-25)
A combined spectroscopic and ab initio theoretical study of the doubly hydrogen-bonded complex of 2-pyridone (2PY) with NH(3) has been performed. The S(1)←S(0) spectrum extends up to ≈1200 cm(-1) above the 0(0) (0) band, close to twice the range observed
Mettu Ravinder et al.
Bioorganic & medicinal chemistry letters, 22(18), 6010-6015 (2012-08-18)
Twenty-six 2-pyridone derivatives (8a-8z), which are structurally analogous to amrinone and milrinone two important cardiotonic drugs, are synthesized and characterized. The synthesis of 2-pyridone derivatives involves addition, followed by cyclization between Baylis-Hillman acetates (7a-7k) and enamino esters or nitriles (3a-3e).
Borys Ośmiałowski et al.
Journal of molecular modeling, 17(10), 2491-2500 (2011-01-05)
The 2-[1H]-pyridone/2-hydroxypyridine tautomeric pair and its 6-substituted complexes have been studied with the use of DFT(M05) method. The intermolecular interaction energy has been calculated and discussed in the light of secondary interaction concept. The attractive secondary interactions of O/NH and
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