4-Methoxy-3-methylbenzisoxazole | 1394900-05-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并异恶唑
• 英文名称: 4-Methoxy-3-methylbenzisoxazole
• 英文别名: 4-methoxy-3-methyl-1,2-benzoxazole
• CAS: 1394900-05-0
• 化学式: C₉H₉NO₂
• 分子量: 163.176
• InChiKey: KJANWBXLHBTHSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  35.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  苯甲氧羰酰琥珀酰亚胺 、 4-Methoxy-3-methylbenzisoxazole 在 {RuCl(p-cymene)[(R,R)-(S,S)-PhTRAP]}Cl 、 氢气 作用下， 以 四氢呋喃 为溶剂， 80.0 ℃ 、5.07 MPa 条件下， 反应 24.0h， 生成 benzyl 1-(2-hydroxy-6-methoxyphenyl)-1-ethylcarbamate 、 benzyl 1-(2-hydroxy-6-methoxyphenyl)-1-ethylcarbamate
  参考文献：
  名称：

  Catalytic Asymmetric Hydrogenation of 3-Substituted Benzisoxazoles

  摘要：

  使用手性钌催化剂 {RuCl(p-cymene)[(R,R)-(S,S)-PhTRAP]}Cl 用氢气还原了多种 3-取代的苯并异噁唑。在酰化剂存在的情况下，钌催化的氢化反应以较高的产率进行，可得到 a-取代的邻羟基苄胺，ee 值高达 57%。在催化转化过程中，苯并异噁唑底物的 N-O 键在氢化条件下被钌络合物还原裂解。通过 PhTRAP 钌催化，生成的亚胺的 C-N 双键立体选择性地饱和。然而，当反应在适当的酰化剂（如 Boc2O 或 Cbz-OSu）存在下进行时，氢化产物的氨基会迅速酰化。

  DOI：

  10.3390/molecules17066901

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：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
• US9846160B2
  申请人：——

  公开号：US9846160B2

  公开（公告）日：2017-12-19
• [EN] 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA<br/>[FR] AGONISTES DU RÉCEPTEUR 5-HT4 POUR LE TRAITEMENT DE LA DÉMENCE
  申请人：RAQUALIA PHARMA INC

  公开号：WO2011099305A1

  公开（公告）日：2011-08-18

  This invention relates to a compound of formula (I) or a pharmaceutically acceptable salt thereof with 5-HT4 agonistic activities, which is useful in the treatment of dementia. This invention also relates to a pharmaceutical composition for the treatment of dementia which comprises a therapeutically effective amount of a compound of formula (I) or a pharmaceutically acceptable salt thereof. Further this invention relates to a method for the treatment of dementia in an animal subject including a mammalian subject, which comprises administering to the animal subject including a mammalian subject a compound of the formula (I) or a pharmaceutically acceptable salt thereof.