CAS: 1008-79-3; 1-Phenyl-1H-Pyrazol-3(2H)-One

该化合物是有机化合物,其特征为:丙罗酮结构,由五人组成,内含两个氮原子;该化合物一般是晶状固体,因其生物活动而有可能应用于制药和农用化学,其特性为:有机溶剂中溶性,水溶性有限,许多丙罗酮衍生物都常见;该苯组的存在有助于其稳定性和再活动,允许各种化学改变;此外,1,2-二氢-1-苯-3H-丙罗素-3-1-1,可参与各种化学反应,包括凝聚和替代反应,使其在有机合成中成为多用途中间体;其衍生物可能表现出抗氟化,止痛剂或反流体特性,反映对丙罗酮化合物更广泛的药用兴趣.应参考安全数据,以便处理和使用所有化学物质.

英文名称1-Phenyl-1H-Pyrazol-3(2H)-One
中文名称1-苯基-1H-吡唑-3(2H)-酮
IUPAC名称1-phenyl-1,2-dihydro-3H-pyrazol-3-one
其它别名1-苯基-5H-咪唑-4-酮; 1-Chlorophenyl-1H-Pyrazol-3-Ol
CAS编号1008-79-3
MFCD编号:MFCD00129721
EINECS号:819-498-3
分子式:C9H8N2O分子量:160.17
产品CID: 19724
产品分类有机原料→分子砌块→芳杂环类化合物→吡唑类化合物

相似结构搜索
产品信息参考;;;;
InChIKey: KIWUSLOGPWBUND-UHFFFAOYSA-N
InChI=1S/C9H8N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-7H,(H,10,12)
计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数1.0

相似化合物

2044713-95-1 1242321-87-4 2174001-94-4

MSDS等安全信息

GHS符号GHS07
危险类别特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2A
警示词Warning
危险描述H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

欧盟法规

C&L通报

上下游产品

1-phenylpyrazolidin-3-one ethyl 3-chloro-2-hydroxypropanoate phenylhydrazine N'-phenyl-hydrazino)-propionitrile3-(N'-phenyl-hydrazino)-propionitrile 4-morpholin-4-ylmethyl-1-phenyl-1,2-dihydro-pyrazol-3-one 2-Methyl-2-(1-phenyl-1H-pyrazol-3-yloxy)-propionic acid 4-nitro-1-phenyl-1,2-dihydro-pyrazol-3-one H-pyrazol-3-yloxy)-2-methyl-propionic acid2-(4-chloro-1-phenyl-1H-pyrazol-3-yloxy)-2-methyl-propionic acid

合成工艺路线路线简述

📜菲尼酮置于四乙基氯化铵体系中,用乙腈用作溶剂,化学反应生成1-苯基-1,5-二氢-4H-咪唑-4-酮
参考文献:1-苯基吡唑啉丁-3-酮的电化学氧化.第3部分.反应机理
标题:1-苯基吡唑啉丁-3-酮的电化学氧化.第3部分.反应机理
摘要:对1-苯基吡唑烷丁-3-酮和一些典型的取代类似物的循环伏安研究表明,初始电子转移后的化学步骤涉及第2位(nh)处的阳离子自由基的去质子化.在没有添加碱的情况下,当底物浓度> 2M M时,底物本身会使阳离子自由基去质子化.在碱性氯离子存在的情况下,氧化反应通过1-苯基吡唑啉丁-3-酮的共轭碱发生的.阳离子自由基的寿命对c(4)和c(5)处的取代基的性质相对不敏感,但通过在n(2)处的取代显着增加.
Doi:10.1039/p29830000179

专利信息

专利号:US-6362009-B1
优先权日:1997-11-21
标题 :Solid phase synthesis of heterocycles
发明人：MUNOZ BENITO; CHEN CHIXU
权利人:MERCK & CO INC
摘要:Methods for solid phase and combinatorial synthesis using a resin activation/capture approach are provided. In particular, methods for the production of dihydropyridones, N-acyidihydropyridones, tetrahydropyridones, pyridines, aminopyridines, N-acyltetrahydropyridines and tetrahydropyridines compounds and libraries containing such compounds are provided. Methods for screening the libraries and compounds and pharmaceutical compositions containing compounds prepared by the methods are provided.

专利号:US-6264891-B1
优先权日:1998-12-22
标题 :Apparatus and method for concurrent chemical synthesis
发明人：HEYNEKER HERBERT L; HA KIM D; STEINMILLER DAVID K; SIMONYI VICTOR
权利人:EOS BIOTECHNOLOGY INC
摘要:This invention provides an apparatus for preparing chemical libraries. The apparatus includes (1) a carousel comprising a plurality of reaction mounts having at least one reaction well; (2) a rotator that rotates the carousel step-wise; (3) a fluid delivery system; (4) a drain system; and (5) a programmable computer that controls the operation of the apparatus, including the rotator, the fluid delivery system, the drain system and other systems in the apparatus. The preparation of chemical libraries involves rotating the carousel through a plurality of stations. At each station, a physical step in a reaction protocol is carried out on the reaction wells of the mount docked at the station.