isopropyl p-chloromethylbenzoate | 87234-10-4

• 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: isopropyl p-chloromethylbenzoate
• 英文别名: isopropyl 4-(chloromethyl)benzoate；Propan-2-yl 4-(chloromethyl)benzoate
• CAS: 87234-10-4
• 化学式: C₁₁H₁₃ClO₂
• mdl: MFCD20527442
• 分子量: 212.676
• InChiKey: NWGIOTOSMYVEKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  isopropyl p-chloromethylbenzoate 、 2-amino-5-aminomethylpyrrolo[2,3-d]pyrimidin-4-one (dihydrochloride) 生成 2-amino-5-(p-isopropoxycarbonylbenzyl)aminomethylpyrrolo[2,3-d]pyrimidin-4-one
  参考文献：
  名称：

  5-[Substituted amino methyl]pyrrolo[2,3-d]pyrimidine-4-one

  摘要：

  新型的嘌呤衍生物的化学式为：##STR1## 其中 R.sup.1 是 C.sub.1-18 烷基，可能被二C.sub.1-3 烷基氨基取代；C.sub.1-18 烯基；C.sub.3-8 环烷基；C.sub.5-8 环烯基；C.sub.7-13 芳基烷基，可能被 C.sub.1-4 烷氧基，C.sub.1-4 烷酰基，C.sub.2-4 烷氧羰基，羟基，氨基，硝基，三氟甲基或 C.sub.1-4 烷酰胺基取代；或 C.sub.6-10 芳基，R.sup.2 是氢或 C.sub.7-13 芳基烷基或，R.sup.1 和 R.sup.2，与相邻的氮原子一起形成哌啶环，及其盐被肿瘤细胞选择性吸收并具有抗肿瘤活性。

  公开号：

  US04435569A1
• 作为产物：
  描述：

  对氯甲基苯甲酸 、 、 异丙醇 在 isopropyl p-chloromethylbenzoate 作用下， 以The benzoate 13d was isolated as colorless oil in 89% yield (1.90 g)的产率得到isopropyl p-chloromethylbenzoate
  参考文献：
  名称：

  Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors

  摘要：

  本发明提供了新型的茚酮衍生物，可用于治疗和/或预防需要抑制胆碱酯酶的医学疾病。

  公开号：

  US08247563B2
• 作为试剂：
  描述：

  对氯甲基苯甲酸 、 、 异丙醇 在 isopropyl p-chloromethylbenzoate 作用下， 以The benzoate 13d was isolated as colorless oil in 89% yield (1.90 g)的产率得到isopropyl p-chloromethylbenzoate
  参考文献：
  名称：

  Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors

  摘要：

  本发明提供了新型吲哚酮衍生物，可优势地用于治疗和/或预防需要抑制胆碱酯酶的医疗状况。

  公开号：

  US08580822B2

文献信息

• Pyrazole oxime derivatives and compositions
  申请人：Nihon Nohyaku Co., Ltd.

  公开号：US04843068A1

  公开（公告）日：1989-06-27

  A pyrazole oxime derivative represented by the general formula (I) which is useful as an insecticide and fungicide, ##STR1## wherein the structural elements are defined in the specification, and the method of controlling said pests. The compounds represented by the general formula (I) can be synthesized by the methods disclosed in the specification.

  一种由通式（I）表示的吡唑肟衍生物，可用作杀虫剂和杀菌剂，##STR1## 其中结构元素在规范中定义，并控制所述害虫的方法。通式（I）表示的化合物可以通过规范中披露的方法合成。
• COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS
  申请人：BHAT Laxminarayan

  公开号：US20120252842A1

  公开（公告）日：2012-10-04

  The present invention provides novel indanone derivatives which can be advantageously used for treating and/or preventing of a medical condition for which inhibition of a cholinesterase is desired.

  本发明提供了新型的茚酮衍生物，可用于治疗和/或预防需要抑制胆碱酯酶的医疗条件。
• Deazapurine derivatives
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0079447A1

  公开（公告）日：1983-05-25

  Novel deazapurine derivatives of the formula: wherein R1 is C1-18 alkyl which may be substituted with di-C1-3 alkyl amino; C1-18 alkenyl; C3-8 cyloalkyl; C5-8 cycloalkenyl; C7-13 aralkyl which may be substituted with C1-4 alkoxy, C1-4 alkanoyl, C2-4 alkoxycarbonyl, hydroxy, amino, nitro, trifluoromethyl or C1-4 alkanoylamido; or C6-10 aryl and R2 is hydrogen or C7-13 aralkyl or, R1 and R2, taken together with the adjacent nitrogen atom, form a piperidine ring, and salt thereof are selectively taken up by tumor cells and have antitumor activity.

  式中 R1 为 C1-18 烷基，可被二-C1-3 烷基氨基取代；C1-18 烯基；C3-8 环烷基；C5-8 环烯基；C7-13 芳基，可被 C1-4 烷氧基、C1-4 烷酰基、C2-4 烷氧羰基、羟基、氨基、硝基、三氟甲基或 C1-4 烷酰氨基取代；或 C6-10 芳基，R2 为氢或 C7-13 芳基，或 R1 和 R2 与相邻的氮原子一起形成一个哌啶环，其盐可被肿瘤细胞选择性吸收并具有抗肿瘤活性。
• A pyrazole oxime derivative and its production and use
  申请人：NIHON NOHYAKU CO., LTD.

  公开号：EP0234045B1

  公开（公告）日：1992-09-02
• NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20170305924A1

  公开（公告）日：2017-10-26

  The present invention relates to novel nargenicin related compounds which can inhibit DnaE and have antibacterial, particularly antimycobacterial activity against Mycobacterium tuberculosis. The present invention also relates to method for inhibiting growth of mycobacterial cells as well as a method of treating mycobacterial infections by Mycobacterium tuberculosis by administering an antimycobacterially effective amount of nargenicin or a nargenicin-related compound and/or their pharmaceutically acceptable salts.