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3-羟基苯乙酮

3-羟基苯乙酮用途

3-羟基苯乙酮(间羟基苯乙酮)是羟基取代的烷基苯基酮,可用于合成对映体纯(-)-利瓦斯蒂明[1][2]。

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3-羟基苯乙酮名称

[ CAS 号 ]:
121-71-1

[ 中文名 ]:
3-羟基苯乙酮

[ 英文名 ]:
3-ACETYLPHENOL

[中文别名 ]:

[英文别名 ]:

3-Hydroxyphenyl Methyl Ketone
3-Hydroxyacetophenone
3-HYDROXY-ACETOPHENONE
Ethanone, 1-(3-hydroxyphenyl)-
Ethanone, 1- (3-hydroxyphenyl)-
3’-Hydroxyacetophenone
3-Acetophenol
EINECS 204-494-0
m-Acetylphenol
3-ACETYLPHENOL

3-羟基苯乙酮生物活性

[ 描述 ]:

3-羟基苯乙酮(间羟基苯乙酮)是羟基取代的烷基苯基酮,可用于合成对映体纯(-)-利瓦斯蒂明[1][2]。

[ 相关类别 ]:

研究领域 >> 其他

信号通路 >> 其他 >> 其他

[参考文献]

[1]. Katharine Moore Tibbetts, et al. Controlling dissociation of alkyl phenyl ketone radical cations in the strong-field regime through hydroxyl substitution position. J Phys Chem A. 2014 Sep 18;118(37):8170-6.

[2]. Kiwon Han, et al. Chemoenzymatic synthesis of rivastigmine via dynamic kinetic resolution as a key step. J Org Chem. 2010 May 7;75(9):3105-8.

3-羟基苯乙酮物理化学性质

[ 密度 ]:
1.1±0.1 g/cm3

[ 沸点 ]:
277.0±23.0 °C at 760 mmHg

[ 熔点 ]:
90-95 °C(lit.)

[ 分子式 ]:
C₈H₈O₂

[ 分子量 ]:
136.148

[ 闪点 ]:
115.8±15.2 °C

[ 精确质量 ]:
136.052429

[ PSA ]:
37.30000

[ LogP ]:
1.39

[ 外观性状 ]:
白色晶体粉末

[ 蒸汽压 ]:
0.0±0.6 mmHg at 25°C

[ 折射率 ]:
1.552

[ 储存条件 ]:
室温

3-羟基苯乙酮MSDS

3-羟基苯乙酮安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H302

[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Gloves

[ 危害码 (欧洲) ]:
Xi:Irritant

[ 风险声明 (欧洲) ]:
R36/37/38

[ 安全声明 (欧洲) ]:
S22-S24/25-S37/39-S26

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
3

[ 海关编码 ]:
2914399090

3-羟基苯乙酮合成路线

3-羟基苯乙酮上下游产品

3-羟基苯乙酮上游产品

3-羟基苯乙酮下游产品

3-羟基苯乙酮制备

二、生产方法简述

由间氨基苯乙酮与亚硝酸钠反应而得。将水和浓硫酸加入反应锅内，搅拌下加入间氨基苯乙酮，然后在冷却下滴加亚硝酸钠水溶液，温度保持在8-10℃，加毕慢慢升温至90℃以上，继续搅拌反应1h。冷却析出固体，甩滤，得到的粗品用热水重结晶，即得间羟基苯乙酮。收率65%。

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3-羟基苯乙酮海关

[ 海关编码 ]: 2914501900

[ 中文概述 ]:
2914501900 其他酮酚。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途, 丙酮报明包装

[ Summary ]:
2914501900 other ketone-phenols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

3-羟基苯乙酮文献

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase.

J. Med. Chem. 54 , 211-221, (2011)

Folate analogue inhibitors of Leishmania major pteridine reductase (PTR1) are potential antiparasitic drug candidates for combined therapy with dihydrofolate reductase (DHFR) inhibitors. To identify n...

Synthesis of new UV-B light absorbents: (Acetylphenyl)glycosides with antioxidant activities.

Bioorg. Med. Chem. Lett. 18 , 3582-4, (2008)

m-Acetylphenyl-beta-d-glucopyranosides and m-acetylphenyl-alpha/beta-d-mannopyranosides were synthesized by the Koenigs-Knorr, Mitsunobu, and Helferich reactions as key glycosylation reactions, respec...

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