2-(3,5-bistrifluoromethylphenyl)methyl propionate | 374794-36-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(3,5-bistrifluoromethylphenyl)methyl propionate
• 英文别名: (RS)-methyl α-methyl-3,5-bis(trifluoromethyl)benzeneacetate；methyl 2-(3,5-bistrifluoromethylphenyl)propionate；(RS)-Methyl alpha-Methyl-3,5-bis(trifluoromethyl)benzeneacetate；methyl 2-[3,5-bis(trifluoromethyl)phenyl]propanoate
• CAS: 374794-36-2
• 化学式: C₁₂H₁₀F₆O₂
• 分子量: 300.201
• InChiKey: ZACMETZUUYXPIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-(3,5-bistrifluoromethylphenyl)methyl propionate 在 sodium hydroxide 、 水 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以99%的产率得到(RS)-α-Methyl-3,5-bis(trifluoromethyl)benzeneacetic Acid
  参考文献：
  名称：

  Cyclohexane derivatives and their use as therapeutic agents

  摘要：

  本发明涉及式(I)的化合物，其中环A是苯环或吡啶环；X代表从以下式组成的选择性连接物：(a)、(b)、(c)、(d)和(e)；以及R1、R2、R3、R4、R5、R6、R7、R13、R14、R15、R16、R17、R21a和R21b如本文所定义。这些化合物特别适用于治疗或预防抑郁症、焦虑、疼痛、炎症、偏头痛、呕吐或带状疱疹后神经痛。

  公开号：

  US20030236250A1
• 作为产物：
  描述：

  methyl 2-(3,5-bis(trifluoromethyl)phenyl)acrylate 在 钯 氢气 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以to give the title compound as a colorless oil (0.97 g, 95%)的产率得到2-(3,5-bistrifluoromethylphenyl)methyl propionate
  参考文献：
  名称：

  Cyclohexane derivatives and their use as therapeutic agents

  摘要：

  本发明涉及公式（I）的化合物，其中环A是苯环或吡啶环；X代表从公式（a），（b），（c），（d）和（e）组成的链连接物；R1、R2、R3、R4、R5、R6、R7、R13、R14、R15、R16、R17、R21a和R21b如本文所定义。这些化合物特别适用于治疗或预防抑郁症、焦虑症、疼痛、炎症、偏头痛、呕吐或带状疱疹后神经痛。

  公开号：

  US07105507B2

文献信息

• Construction of a visible light-driven hydrocarboxylation cycle of alkenes by the combined use of Rh(<scp>i</scp>) and photoredox catalysts
  作者：Kei Murata、Nobutsugu Numasawa、Katsuya Shimomaki、Jun Takaya、Nobuharu Iwasawa

  DOI：10.1039/c7cc00678k

  日期：——

  A visible light-driven catalytic cycle for hydrocarboxylation of alkenes with CO₂ was established using a combination of a Rh(i) complex as a carboxylation catalyst and [Ru(bpy)₃]²⁺ (bpy = 2,2′-bipyridyl) as a photoredox catalyst.

  使用Rh(i)复合物作为羧化催化剂和[Ru(bpy)₃]²⁺ (bpy = 2,2′-联吡啶)作为光氧化还原催化剂，建立了一种可见光驱动的烯烃与CO₂的羧化催化循环。
• Piperdine Compound and Process for Preparing the Same
  申请人：Miyake Tsutomu

  公开号：US20070244158A1

  公开（公告）日：2007-10-18

  The present invention is to provide a piperidine compound represented by the formula [I]: wherein Ring A is an optionally substituted benzene ring, Ring B is an optionally substituted benzene ring, R 1 is hydrogen atom or a substituent for amino group, R 2 is hydrogen atom, an optionally substituted hydroxyl group, an optionally substituted amino group, an optionally substituted alkyl group, a substituted carbonyl group or a halogen atom, Z is oxygen atom or —N(R 3 )—, R 3 is hydrogen atom or an optionally substituted alkyl group, R 4a and R 4b may be the same or different, and each is hydrogen atom or an optionally substituted alkyl group, or may be bonded to each other at the both ends to form an alkylene group, or a pharmaceutically acceptable salt thereof, which has an excellent tachykinin receptor antagonistic action.

  本发明提供了一种由公式[I]表示的哌啶化合物：其中，环A是可选取代的苯环，环B是可选取代的苯环，R1是氢原子或氨基取代基，R2是氢原子、可选取代的羟基、可选取代的氨基、可选取代的烷基、取代的羰基或卤原子，Z是氧原子或-N(R3)-，R3是氢原子或可选取代的烷基，R4a和R4b可以相同也可以不同，且每个都是氢原子或可选取代的烷基，或者可以在两端结合形成烷基，或其药学上可接受的盐，具有优异的Tachykinin受体拮抗作用。
• CYCLOHEXYL-PYRIDINE DERIVATIVE
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP3141541A1

  公开（公告）日：2017-03-15

  A problem of the present invention is to provide a new compound which has NK1 receptor antagonist activity ,whose CYP3A4 inhibitory activity is reduced compared to aprepitant, and which are useful for the prevention or treatment of cancer-chemotherapy-induced nausea and vomiting. That is, the present invention relates to cyclohexyl pyridine derivatives represented by the following formula (I) or a pharmaceutically acceptable salt thereof. wherein, ring A is 4-fluoro-2-methylphenyl or the like; X is a hydrogen atom or the like; R1 is carboxymethyl or the like; R2 is alkyl or the like; Y is 0-2 or the like; U is-N(CH3)COC(CH3)2-3,5-bistrifluoromethylphenyl or the like.

  本发明的一个问题是提供一种新的化合物，该化合物具有NK1受体拮抗剂活性，其CYP3A4抑制活性与阿瑞匹坦相比有所降低，可用于预防或治疗癌症化疗引起的恶心和呕吐。也就是说，本发明涉及下式（I）所代表的环己基吡啶衍生物或其药学上可接受的盐。 其中，环 A 是 4-氟-2-甲基苯基或类似物；X 是氢原子或类似物；R1 是羧甲基或类似物；R2 是烷基或类似物；Y 是 0-2 或类似物；U 是-N(CH3)COC(CH3)2-3,5-双三氟甲基苯基或类似物。
• Cyclohexyl pyridine derivative
  申请人：KISSEI PHARMACEUTICAL CO., LTD.

  公开号：US10011568B2

  公开（公告）日：2018-07-03

  A problem of the present invention is to provide a new compound which has NK1 receptor antagonist activity, whose CYP3A4 inhibitory activity is reduced compared to aprepitant, and which are useful for the prevention or treatment of cancer-chemotherapy-induced nausea and vomiting. That is, the present invention relates to cyclohexyl pyridine derivatives represented by the following formula (I) or a pharmaceutically acceptable salt thereof, wherein, ring A is 4-fluoro-2-methylphenyl or the like; X is a hydrogen atom or the like; R1 is carboxymethyl or the like; R2 is alkyl or the like; Y is 0-2 or the like; U is —N(CH3)COC(CH3)2-3,5-bistrifluoromethylphenyl or the like.

  本发明的一个问题是提供一种新化合物，该化合物具有NK1受体拮抗剂活性，其CYP3A4抑制活性与阿瑞匹坦相比有所降低，可用于预防或治疗癌症化疗引起的恶心和呕吐。也就是说，本发明涉及下式（I）所代表的环己基吡啶衍生物或其药学上可接受的盐，其中，环 A 是 4-氟-2-甲基苯基或类似物；X 是氢原子或类似物；R1 是羧甲基或类似物；R2 是烷基或类似物；Y 是 0-2 或类似物；U 是 -N(CH3)COC(CH3)2-3,5-双三氟甲基苯基或类似物。
• JP5847362
  申请人：——

  公开号：——

  公开（公告）日：——