CAS: 176976-42-4; 4-Chloro-3-(Trifluoromethyl)Benzeneboronic Acid

该化合物是一种有机有机体化合物,其特点是,氯化芳香环中含有一个含有碱性酸功能组,该化合物具有三氟甲基组,对电子特性和反应产生显著影响,而这种三氟甲基组则具有显著影响,可参与各种化学反应,特别是铃木混合反应,使其在有机合成和药用化学中具有价值.氯和三氟甲基组的存在会增加其亲耳性,并可能影响其生物活动.一般而言,该化合物在室温中为固体,在极地有机溶剂中可溶解,其独特的结构使其在合成药品和农用化学品方面成为有用的中间体.此外,三氟甲基组可产生独特的特性,例如增加代谢稳定性和改变药物开发过程中的药用地基酸.在处理时,应参考安全数据,因为卤酸可能是反应性的,如果不妥善管理,则可能对健康造成风险.

英文名称4-Chloro-3-(Trifluoromethyl)Benzeneboronic Acid
中文名称4-氯-3-(三氟甲基)苯硼酸
IUPAC名称(4-chloro-3-(trifluoromethyl)phenyl)boronic acid
其它别名3-三氟甲基-4-氯苯硼酸; 4氯3三氟甲基苯硼酸; 4-Chloro-3-(Trifluoromethyl)Phenyl Boronic Acid; 4-Chloro-3-(Trifluoromethyl)Phenylboronic Acid
CAS编号176976-42-4
MFCD编号:MFCD03094999
EINECS号:675-054-7
分子式:C7H5BClF3O2
分子量:224.37
产品CID: 901446
产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

相似结构搜索
InChIKey: XHKNQBNGLMOTDB-UHFFFAOYSA-N
InChI=1S/C7H5BClF3O2/c9-6-2-1-4(8(13)14)3-5(6)7(10,11)12/h1-3,13-14H…
计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数1.0

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
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2
严重眼刺激类别2A
警示词Warning(警告)
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
危险等级IRRITANT
危险品标志Xi
安全声明26-36-37/39-24/25
危险类别码36/37/38-36

欧盟法规

C&L通报

合成工艺路线路线简述

海关参考信息

2902300000-甲苯
2903919090-氯苯
2903399090-其他无环烃卤化衍生物
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-2009306392-A1
优先权日:2007-10-19
标题 :Gsm intermediates
发明人：HO CHIH YUNG
权利人:HO CHIH YUNG
摘要:The present invention relates the use of compounds having the general Formula I, wherein the definitions or R 1 and R 2 are provided in the specification. Said compounds of Formula I are useful for the synthesis of a variety of Î³-secretase modulators, which are in turn useful for the treatment of diseases associated with Î³-secretase activity, including Alzheimer's disease.

专利号:US-8178559-B2
优先权日:2004-12-30
标题:Organic compounds
发明人：BREITENSTEIN WERNER; EHARA TAKERU; EHRHARDT CLAUS; GROSCHE PHILIPP; HITOMI YUKO; IWAKI YUKI; KANAZAWA TAKANORI; KONISHI KAZUHIDE; MAIBAUM JUERGEN KLAUS; MASUYA KEIICHI; IWASAKI ATSUKO; OSTERMANN NILS; SUZUKI MASAKI; TOYAO ATSUSHI; YOKOKAWA FUMIAKI
权利人:BREITENSTEIN WERNER; EHARA TAKERU; EHRHARDT CLAUS; GROSCHE PHILIPP; HITOMI YUKO; IWAKI YUKI; KANAZAWA TAKANORI; KONISHI KAZUHIDE; MAIBAUM JUERGEN KLAUS; MASUYA KEIICHI; IWASAKI ATSUKO; OSTERMANN NILS; SUZUKI MASAKI; TOYAO ATSUSHI; YOKOKAWA FUMIAKI; NOVARTIS AG
摘要:3,4-substituted piperidine compounds, these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (=disorder) that depends on activity of renin; the use of a compound of that class for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on activity of renin; the use of a compound of that class in the treatment of a disease that depends on activity of renin; pharmaceutical formulations comprising a 3,4-substituted piperidine compound, and/or a method of treatment comprising administering a 3,4substituted piperidine compound, a method for the manufacture of a 3,4-substituted piperidine compound, and novel intermediates and partial steps for their synthesis are disclosed. The 3,4-disubstituted piperidine compounds have the formula (I), wherein the symbols have the meanings defined in the specification.