3-羟基-3-三氟甲基-1,5-戊二羧酸 | 36610-31-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 3-羟基-3-三氟甲基-1,5-戊二羧酸
• 英文名称: 3-hydroxy-3-trifluoromethyl-1,5-pentanedicarboxylic acid
• 英文别名: 3-Hydroxy-3-trifluormethyl-glutarsaeure；3-hydroxy-3-trifluoromethylglutaric acid；3-Hydroxy-3-(trifluoromethyl)pentanedioic acid
• CAS: 36610-31-8
• 化学式: C₆H₇F₃O₅
• 分子量: 216.114
• InChiKey: VSHSKEOCTHHYEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-羟基-3-三氟甲基-1,5-戊二羧酸 在 尿素 、 三氯氧磷 作用下， 反应 18.0h， 生成 2,6-二氯-4-三氟甲基吡啶
  参考文献：
  名称：

  Synthesis and antitumor evaluation of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines

  摘要：

  A series of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines was designed and synthesized as potential antitumor agents. They were evaluated for preliminary cytotoxic activity against P388 and A-549 cells with IC50 values. 4-Trifluoromethyl-2,6-bis[3'-(N-tosyl-6'-methoxyl-indolyl)] pyridine was identified as the most potent in this series. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00704-6
• 作为产物：
  描述：

  4-hydroxy-4-trifluoromethyl-1,6-heptadiene 在 双氧水 、 溶剂黄146 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 生成 3-羟基-3-三氟甲基-1,5-戊二羧酸
  参考文献：
  名称：

  Cholesterol biosynthesis inhibitors

  摘要：

  描述了胆固醇生物合成抑制剂，它们是辅酶A的衍生物，具有以下一般式：##STR1## 其中n为1至3（含），CoA为辅酶A减去硫醇取代基上的氢原子。它们通过将辅酶A与具有以下一般式的氟化3-羟基-3-甲基戊二酸酐反应而产生：##STR2## 在稀溶液碱中。

  公开号：

  US04169944A1

文献信息

• Cholesterol biosynthesis inhibitors
  申请人：University Patents, Inc.

  公开号：US04169944A1

  公开（公告）日：1979-10-02

  Cholesterol biosynthesis inhibitors are described which are derivatives of coenzyme A having the general formula ##STR1## wherein n is 1 to 3, inclusive, and CoA is coenzyme A minus a hydrogen atom from a sulfhydryl substituent. They are produced by reacting coenzyme A with a fluorinated 3-hydroxy-3-methylglutaric anhydride of the general formula ##STR2## in dilute aqueous alkali.

  描述了胆固醇生物合成抑制剂，它们是辅酶A的衍生物，具有以下一般式：##STR1## 其中n为1至3（含），CoA为辅酶A减去硫醇取代基上的氢原子。它们通过将辅酶A与具有以下一般式的氟化3-羟基-3-甲基戊二酸酐反应而产生：##STR2## 在稀溶液碱中。
• Convenient Approaches to 4-Trifluoromethylpyridine
  作者：Biao Jiang、Wennan Xiong、Xiaobing Zhang、Fangjiang Zhang

  DOI：10.1021/op000109r

  日期：2001.9.1

  A number of approaches to the synthesis of 2-chloro- and 2,6-dichloro-4-trifluoromethylpyridine are described. The first method for 2-chloro- and 2,6-dichloro-4-trifluoromethylpyridine is based on commercially available ethyl trifluoroacetate. An alternative access to 2,6-dichloro-4-trifluoromethyl pyridine uses trifluoroacetaldehyde as starting material. 2-Chloro-4-trifluoromethylpyridine is prepared from ethyl(trifluoroacetylvinyl)-ether in two steps.
• US4169944A
  申请人：——

  公开号：US4169944A

  公开（公告）日：1979-10-02
• Synthesis and antitumor evaluation of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines
  作者：Biao Jiang、Xen-Nan Xiong、Cai-Guang Yang

  DOI：10.1016/s0960-894x(00)00704-6

  日期：2001.2

  A series of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines was designed and synthesized as potential antitumor agents. They were evaluated for preliminary cytotoxic activity against P388 and A-549 cells with IC50 values. 4-Trifluoromethyl-2,6-bis[3'-(N-tosyl-6'-methoxyl-indolyl)] pyridine was identified as the most potent in this series. (C) 2001 Elsevier Science Ltd. All rights reserved.