3,5-di(tert-butyl )isoxazole | 1132-15-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,5-di(tert-butyl )isoxazole
• 英文别名: 3,5-di-t-butylisoxazole；3,5-di-tert-butyl-isoxazole；3,5-Di-tert-butyl-isoxazol；3,5-Di-t-butylisoxazol；3,5-Ditert-butyl-1,2-oxazole
• CAS: 1132-15-6
• 化学式: C₁₁H₁₉NO
• 分子量: 181.278
• InChiKey: WZMQISFLTKGONC-UHFFFAOYSA-N

物化性质

• 熔点：
  98 °C
• 沸点：
  218.0±9.0 °C(Predicted)
• 密度：
  0.911±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,5-di(tert-butyl )isoxazole 以 甲醇 为溶剂， 生成 新戊酰基乙腈
  参考文献：
  名称：

  Sato,T. et al., Journal of the Chemical Society. Perkin transactions I, 1976, p. 783 - 787

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2,6,6-四甲基-3,5-庚二酮 在 H₁₄[NaP₅W₃₀O₁₁₀] 盐酸羟胺 作用下， 以 乙醇 为溶剂， 反应 0.75h， 以97%的产率得到3,5-di(tert-butyl )isoxazole
  参考文献：
  名称：

  Heteropolyacids as Green and Reusable Catalysts for the Synthesis of Isoxazole Derivatives

  摘要：

  Heteropolyanions with different structures, including Keggin, Dawson, Preyssler, mixed addenda, and sandwich types, catalyzed the formation of 1,3-diphenyl-isoxazole from the condensation of 1,3-diphenyl-propane-1,3-dione and hydroxylamine hydrochloride in different solvents and under heating conditions. Our data vividly indicate that H3PW11CuO40 is the catalyst of choice and could catalyze the synthesis of other isoxazole derivatives in high yields and good selectivities.

  DOI：

  10.1080/00397910701651326

文献信息

• MGluR5 modulators VI
  申请人：Isaac Methvin

  公开号：US20070259895A1

  公开（公告）日：2007-11-08

  The present invention is directed to novel compounds, to a process for their preparation, their use in therapy and pharmaceutical compositions comprising the novel compounds.

  本发明涉及新化合物，以及用于它们制备的方法，它们在治疗中的应用以及包含这些新化合物的药物组合物。
• Chemical inducers of neurogenesis
  申请人：Schneider Jay

  公开号：US20090036451A1

  公开（公告）日：2009-02-05

  The present invention relates to compounds and methods for inducing neuronal differentiation in normal neural stem cells and brain cancer stem cells. The methods may take place in vitro, such as in isolates from the adult mammalian brain, or in vivo. Compounds and methods described herein may find use in the treatment of neurodegenerative and psychiatric diseases, the repair and regeneration of the nervous system, and in treatment of neurologic malignancy.

  本发明涉及化合物和方法，用于诱导正常神经干细胞和脑癌干细胞的神经元分化。这些方法可以在体外进行，例如在成年哺乳动物大脑的分离物中，或在体内进行。本文描述的化合物和方法可能在治疗神经退行性和精神疾病、神经系统的修复和再生以及神经逻辑恶性肿瘤的治疗中发挥作用。
• TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF
  申请人：SHANGHAI DE NOVO PHARMATECH CO LTD.

  公开号：US20140329800A1

  公开（公告）日：2014-11-06

  The present invention relates to a tri-heterocyclic derivatives, preparation process and uses thereof, specifically relates to a tri-heterocyclic derivatives of the formula (I) or a pharmaceutically acceptable salt thereof, preparation process, and further relates to a pharmaceutically acceptable composition comprising compounds of formula (I), or a pharmaceutically acceptable salt thereof, and their pharmaceutical use as inhibitors of kinase.

  本发明涉及一种三杂环衍生物，其制备过程及用途，具体涉及公式(I)的三杂环衍生物或其药学上可接受的盐，制备过程，并进一步涉及包含公式(I)化合物或其药学上可接受的盐的药学上可接受的组合物，以及它们作为激酶抑制剂的药用。
• Imidazolothiazole compounds for the treatment of disease
  申请人：Bhagwat Shripad

  公开号：US20070232604A1

  公开（公告）日：2007-10-04

  Compounds, compositions and methods are provided for modulating the activity of receptor kinases and for the treatment, prevention, or amelioration of one or more symptoms of disease or disorder mediated by receptor kinases.

  提供了用于调节受体激酶活性以及用于治疗、预防或改善由受体激酶介导的一种或多种疾病或紊乱症状的化合物、组合物和方法。
• MGluR5 modulators V
  申请人：Wallberg Andreas

  公开号：US20070259860A1

  公开（公告）日：2007-11-08

  The present invention is directed to novel compounds, to a process for their preparation, their use in therapy and pharmaceutical compositions comprising the novel compounds.

  本发明涉及新化合物，以及用于它们制备的方法，它们在治疗中的应用以及包含这些新化合物的药物组合物。