ethyl chlorotiglate | 35057-98-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl chlorotiglate
• 英文别名: ethyl (Z)-3-chloro-2-methylbut-2-enoate
• CAS: 35057-98-8
• 化学式: C₇H₁₁ClO₂
• 分子量: 162.616
• InChiKey: SWBUVSHNGOMQCQ-WAYWQWQTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 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：

  ethyl chlorotiglate 在 亚磷酸三乙酯 作用下， 以68%的产率得到O,O-diethyl γ-phosphonotiglate
  参考文献：
  名称：

  Preparation of alkyl O,O-dialkyl-.gamma.-phosphonotiglates

  摘要：

  通式为I的烷基γ-卤代己酸酯，其中X为Cl或Br，R2为1至3个碳原子的烷基，具有高E异构体含量，通过以下方法制备：(a) 通式II的相应2-甲基-3-丁烯酸酯与氯或溴在无溶剂存在下反应，(b) 产生的通式III的2-甲基-3,4-二卤丁酸酯通过与醇R2OH(其中R2具有上述含义)或水和醇R2OH的混合物中的碱金属氢氧化物溶液反应脱卤素，然后进一步处理产物，以给出通式IV的O,O-二烷基-γ-膦酸己酸酯，其中R1为1至4个碳原子的烷基，R2为1至3个碳原子的烷基，优选为乙基，通过与三烷基膦酸酯反应和热异构化。该方法提供了极具多烯化学意义的C5建筑块，所述建筑块以良好的产率获得，并且基本上是所需的E异构体形式。

  公开号：

  US04937308A1

文献信息

• Pyrazole compounds useful as protein kinase inhibitors
  申请人：Bebbington David

  公开号：US20070270444A1

  公开（公告）日：2007-11-22

  This invention describes novel pyrazole compounds of formula IV: wherein Ring D is a 5-7 membered monocyclic ring or 8-10 membered bicyclic ring selected from aryl, heteroaryl, heterocyclyl or carbocyclyl; R x and R y are independently selected from T-R 3 , or taken together with their intervening atoms to form a fused, unsaturated or partially unsaturated, 5-8 membered ring having 1-3 ring heteroatoms selected from oxygen, sulfur, or nitrogen; and R 2 , R 2′ , T, and R 3 are as described in the specification. The compounds are useful as protein kinase inhibitors, especially as inhibitors of aurora-2 and GSK-3, for treating diseases such as cancer, diabetes and Alzheimer's disease.

  该发明描述了式IV的新型吡唑化合物： 其中环D为从芳基，杂芳基，杂环基或碳环基中选择的5-7成员单环或8-10成员双环；Rx和Ry独立地选择自T-R3，或者与它们之间的原子结合形成融合的、不饱和的或部分不饱和的、具有1-3个环杂原子的5-8成员环；而R2，R2'，T和R3如说明书所述。这些化合物可用作蛋白激酶抑制剂，特别是作为aurora-2和GSK-3的抑制剂，用于治疗癌症、糖尿病和阿尔茨海默病等疾病。
• TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS
  申请人：Bebbington David

  公开号：US20120071657A1

  公开（公告）日：2012-03-22

  This invention describes novel triazole compounds of formula IX: wherein Z 1 is nitrogen or CR 9 and Z 2 is nitrogen or CH, provided that at least one of Z 1 and Z 2 is nitrogen; G is Ring C or Ring D; Ring C is selected from a phenyl, pyridinyl, pyrimidinyl, pyridazinyl, pyrazinyl, or 1,2,4-triazinyl ring, wherein said Ring C has one or two ortho substituents independently selected from —R 1 ; Ring D is a 5-7 membered monocyclic ring or 8-10 membered bicyclic ring selected from aryl, heteroaryl, heterocyclyl or carbocyclyl; R x and R y are independently selected from T-R 3 , or R x and R y are taken together with their intervening atoms to form a fused ring; R 1 , R 3 , and T are as described in the specification. The compounds are useful as protein kinase inhibitors, especially as inhibitors of GSK-3 and Aurora, for treating diseases such as diabetes, cancer, and Alzheimer's disease.

  该发明描述了式IX的新型三唑类化合物：其中Z1是氮或CR9，Z2是氮或CH，但至少其中一个为氮；G是环C或环D；环C选自苯基、吡啶基、嘧啶基、吡嗪基、吡咯基或1,2,4-三嗪基环，其中所述的环C具有一个或两个独立选择自-R1的邻位取代基；环D是选自芳基、杂芳基、杂环基或碳环基的5-7成员单环或8-10成员双环环；Rx和Ry独立选择自T-R3，或Rx和Ry与它们之间的原子结合形成螺合环；R1、R3和T如说明书所述。该化合物可用作蛋白激酶抑制剂，特别是GSK-3和Aurora的抑制剂，用于治疗糖尿病、癌症和阿尔茨海默病等疾病。
• PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS
  申请人：Bebbington David

  公开号：US20100256170A1

  公开（公告）日：2010-10-07

  This invention describes novel pyrazole compounds of formula IV: wherein Ring D is a 5-7 membered monocyclic ring or 8-10 membered bicyclic ring selected from aryl, heteroaryl, heterocyclyl or carbocyclyl; R x and R y are independently selected from T-R 3 , or taken together with their intervening atoms to form a fused, unsaturated or partially unsaturated, 5-8 membered ring having 1-3 ring heteroatoms selected from oxygen, sulfur, or nitrogen; and R 2 , R 2′ , T, and R 3 are as described in the specification. The compounds are useful as protein kinase inhibitors, especially as inhibitors of aurora-2 and GSK-3, for treating diseases such as cancer, diabetes and Alzheimer's disease.

  本发明描述了式IV的新型吡唑化合物：其中环D为5-7成员单环或8-10成员双环，选自芳基，杂芳基，杂环基或碳环基；Rx和Ry分别选自T-R3，或与其之间的原子结合形成融合的、不饱和或部分不饱和的5-8成员环，其中有1-3个选自氧、硫或氮的环杂原子；R2、R2'、T和R3如说明书所述。这些化合物可用作蛋白激酶抑制剂，特别是aurora-2和GSK-3的抑制剂，用于治疗癌症、糖尿病和阿尔茨海默病等疾病。
• US4937308A
  申请人：——

  公开号：US4937308A

  公开（公告）日：1990-06-26
• US7390815B2
  申请人：——

  公开号：US7390815B2

  公开（公告）日：2008-06-24