bis(2,2,2-trichloroethyl) (4-chloro-3-methylisoxazol-5-yl)imidodicarbonate | 887624-90-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: bis(2,2,2-trichloroethyl) (4-chloro-3-methylisoxazol-5-yl)imidodicarbonate
• 英文别名: Bis(2,2,2-trichloroethyl) (4-chloro-3-methylisoxazol-5-yl)imidodicarbonate；2,2,2-trichloroethyl N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-(2,2,2-trichloroethoxycarbonyl)carbamate
• CAS: 887624-90-0
• 化学式: C₁₀H₇Cl₇N₂O₅
• 分子量: 483.347
• InChiKey: CNDNCOZGXCZBMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  81.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-苯基-5-哌嗪基-1,2,4-噻二唑 、 bis(2,2,2-trichloroethyl) (4-chloro-3-methylisoxazol-5-yl)imidodicarbonate 在 N,N-二异丙基乙胺 作用下， 以 二甲基亚砜 为溶剂， 反应 12.0h， 以66.1%的产率得到N-(4-Chloro-3-methylisoxazol-5-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
  参考文献：
  名称：

  EP1813606

  摘要：

  公开号：
• 作为产物：
  描述：

  4-氯-3-甲基异恶唑-5-胺 、 氯甲酸-2,2,2-三氯乙酯 在 吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以47.5%的产率得到bis(2,2,2-trichloroethyl) (4-chloro-3-methylisoxazol-5-yl)imidodicarbonate
  参考文献：
  名称：

  EP1813606

  摘要：

  公开号：

文献信息

• Amide Compound
  申请人：Matsumoto Takahiro

  公开号：US20080312226A1

  公开（公告）日：2008-12-18

  There is provided a FAAH inhibitor and a prophylactic or therapeutic agent for cerebrovascular disorders or sleep disorders comprising it. The prophylactic or therapeutic agent comprises a compound of the formula (I 0 ): R 1 —C—R 2 —R 3 —R 4 (I 0 ) wherein Z is oxygen or sulfur; R 1 is aryl which may be substituted, or a heterocyclic group which may be substituted; R 1a is a hydrogen atom, a hydrocarbon group which may be substituted, hydroxyl, etc.; R 2 is piperidin-1,4-diyl which may be substituted, or piperazin-1,4-diyl which may be substituted; R 3 is a group formed by eliminating two hydrogen atoms from a 5-membered aromatic heterocyclic group having 1 to 3 heteroatoms selected from nitrogen, oxygen and sulfur, which may be further substituted, —CO—, etc.; and R 4 is a hydrocarbon group which may be substituted, or a heterocyclic group which may be substituted; or a salt thereof.

  提供了一种FAAH抑制剂和预防或治疗脑血管疾病或睡眠障碍的药物，其中预防或治疗剂包括化合物(I0)的一种：R1-C-R2-R3-R4(I0)，其中Z为氧或硫；R1为芳基，可以被取代，或者是可以被取代的杂环基；R1a为氢原子，可以被取代的碳氢基，羟基等；R2为可以被取代的哌啶-1,4-二基，或者可以被取代的哌嗪-1,4-二基；R3为从具有1到3个氮、氧和硫杂原子的5元芳香杂环基中消除两个氢原子形成的基团，可以进一步被取代，-CO-等；R4为可以被取代的碳氢基或者可以被取代的杂环基；或其盐。
• Amide compound
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US07851473B2

  公开（公告）日：2010-12-14

  There is provided a FAAH inhibitor and a prophylactic or therapeutic agent for cerebrovascular disorders or sleep disorders comprising it. The prophylactic or therapeutic agent comprises a compound of the formula (I0): wherein Z is oxygen or sulfur; R1 is aryl which may be substituted, or a heterocyclic group which may be substituted; R1a is a hydrogen atom, a hydrocarbon group which may be substituted, hydroxyl, etc.; R2 is piperidin-1,4-diyl which may be substituted, or piperazin-1,4-diyl which may be substituted; R3 is a group formed by eliminating two hydrogen atoms from a 5-membered aromatic heterocyclic group having 1 to 3 heteroatoms selected from nitrogen, oxygen and sulfur, which may be further substituted, —CO—, etc.; and R4 is a hydrocarbon group which may be substituted, or a heterocyclic group which may be substituted; or a salt thereof.

  提供了一种FAAH抑制剂和用于预防或治疗脑血管疾病或睡眠障碍的预防性或治疗性制剂，它包括公式（I0）的化合物：其中Z是氧或硫；R1是取代的芳基或取代的杂环基；R1a是氢原子、可取代的碳氢基、羟基等；R2是可取代的哌啶-1,4-二基或可取代的哌嗪-1,4-二基；R3是由1至3个从氮、氧和硫中选择的杂原子构成的5-成员芳香杂环基消去两个氢原子形成的基团，它可以进一步取代，-CO-等；R4是可取代的碳氢基或可取代的杂环基；或其盐。
• AMIDE COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1813606A1

  公开（公告）日：2007-08-01

  There is provided a FAAH inhibitor and a prophylactic or therapeutic agent for cerebrovascular disorders or sleep disorders comprising it. The prophylactic or therapeutic agent comprises a compound of the formula (I0): wherein Z is oxygen or sulfur; R1 is aryl which may be substituted, or a heterocyclic group which may be substituted; R1a is a hydrogen atom, a hydrocarbon group which may be substituted, hydroxyl, etc.; R2 is piperidin-1,4-diyl which may be substituted, or piperazin-1,4-diyl which may be substituted; R3 is a group formed by eliminating two hydrogen atoms from a 5-membered aromatic heterocyclic group having 1 to 3 heteroatoms selected from nitrogen, oxygen and sulfur, which may be further substituted, -CO-, etc.; and R4 is a hydrocarbon group which may be substituted, or a heterocyclic group which may be substituted; or a salt thereof.

  本发明提供了一种 FAAH 抑制剂和一种用于脑血管疾病或睡眠障碍的预防或治疗剂。该预防或治疗剂包括式（I0）化合物： 其中 Z 是氧或硫；R1 是可被取代的芳基或可被取代的杂环基团；R1a 是氢原子、可被取代的烃基、羟基等。R2 是可被取代的哌啶-1,4-二基或可被取代的哌嗪-1,4-二基；R3 是通过从具有 1 至 3 个选自氮、氧和硫的杂原子的 5 元芳香杂环基团中消除两个氢原子而形成的基团，该基团可被进一步取代、-CO- 等；以及 R4 是可被取代的烃基或可被取代的杂环基；或其盐。
• US7851473B2
  申请人：——

  公开号：US7851473B2

  公开（公告）日：2010-12-14