278564
4′-羟基苯乙酮
99%
别名:
4-羟基苯基乙酮, p-乙酚, p-羟基苯基甲基酮, 匹索醇
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关于此项目
线性分子式:
HOC6H4COCH3
化学文摘社编号:
分子量:
136.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
202-802-8
Beilstein/REAXYS Number:
774355
MDL number:
Assay:
99%
Form:
solid
Quality Level
assay
99%
form
solid
bp
147-148 °C/3 mmHg (lit.)
mp
109-111 °C (lit.)
solubility
95% ethanol: 5%, colorless to faintly yellow
functional group
ketone
SMILES string
CC(=O)c1ccc(O)cc1
InChI
1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
InChI key
TXFPEBPIARQUIG-UHFFFAOYSA-N
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General description
已有报道描述了对两种已知4′-羟基苯乙酮多晶型物（形式I，单斜晶体;形式II，正交晶体）的分子动力学模拟研究。
Application
4′-羟基苯乙酮已被用作通过曼尼希反应制备1-芳基-3-苯乙基氨基-1-丙酮盐酸盐（一种潜在的细胞毒性剂）的酮组分。
signalword
Warning
hcodes
Hazard Classifications
Aquatic Chronic 3 - Eye Irrit. 2
wgk
WGK 1
flash_point_f
330.8 °F
flash_point_c
166 °C
ppe
dust mask type N95 (US), Eyeshields, Gloves
存储类别
11 - Combustible Solids
Colbie R Chinowsky et al.
Molecular biology of the cell, 31(25), 2803-2815 (2020-10-08)
Brush border microvilli enable functions that are critical for epithelial homeostasis, including solute uptake and host defense. However, the mechanisms that regulate the assembly and morphology of these protrusions are poorly understood. The parallel actin bundles that support microvilli have
Synthesis of 1-Aryl-3-phenethylamino-1-propanone hydrochlorides as possible potent cytotoxic agents.
Ebru Mete et al.
Molecules (Basel, Switzerland), 12(12), 2579-2588 (2008-02-09)
1-Aryl-3-phenethylamino-1-propanone hydrochlorides 1-10, which are potentialpotent cytotoxic agents, were synthesized via Mannich reactions using paraformaldehyde,phenethylamine hydrochloride as the amine component and acetophenone, 4'-methyl-, 4'-methoxy-, 4'-chloro-, 4'-fluoro-, 4'-bromo-, 2',4'-dichloro-, 4'-nitro-, 4'-hydroxyacetophenone or 2-acetylthiophene as the ketone component. Yields were in the87-98
Carlos E S Bernardes et al.
The journal of physical chemistry. B, 116(17), 5179-5184 (2012-04-12)
A molecular dynamics simulation study of the two known polymorphs of 4′-hydroxyacetophenone (HAP; form I, monoclinic; form II, orthorhombic) is described. The modeling of the lattice energetics was found to be particularly sensitive to the atomic point charge (APC) selection
Peng Zuo et al.
The Journal of organic chemistry, 70(22), 8661-8675 (2005-10-22)
[reaction; see text] Picosecond and nanosecond time-resolved resonance Raman (TR(3)) spectroscopy was employed to investigate the deprotonation/ionization reaction of p-hydroxyacetophenone (HA) after ultraviolet photolysis in water solution. The TR(3) spectra in conjunction with density functional theory (DFT) calculations were used
Wiebke Zander et al.
Journal of natural products, 74(6), 1358-1363 (2011-05-20)
A family of six novel p-hydroxyacetophenone amides, 1-6, was isolated from Cystobacter ferrugineus, strain Cb G35. Their structures were elucidated by ESI-TOF mass spectrometry and NMR spectroscopy. Feeding experiments with labeled [¹³C₉,¹⁵N]-tyrosine and [d₁₀]-leucine identified the biosynthetic precursors of 1.
全球贸易项目编号
| 货号 | GTIN |
|---|---|
| 278564-500G | 04061826203613 |
| 278564-100G | 04061826203590 |
| 278564-5G | 04061826203620 |
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