1,3-苯二羧酸,聚合2,2-二甲基-1,3-丙二醇,己二酸,4-羟基-γ-(4-羟基苯基)-γ-甲基苯丁酸,噁丙环基甲基新癸酸酯和1,2-丙二醇 | 124927-63-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1,3-苯二羧酸,聚合2,2-二甲基-1,3-丙二醇,己二酸,4-羟基-γ-(4-羟基苯基)-γ-甲基苯丁酸,噁丙环基甲基新癸酸酯和1,2-丙二醇
• 英文名称: 2-isopropyl-5-amino-4-cyano-1,3-oxazole
• 英文别名: 5-amino-4-cyano-2-isopropyl-1,3-oxazole；5-Amino-2-isopropyloxazole-4-carbonitrile；5-amino-2-propan-2-yl-1,3-oxazole-4-carbonitrile
• CAS: 124927-63-5
• 化学式: C₇H₉N₃O
• 分子量: 151.168
• InChiKey: HWVNNKAKNMJBCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  75.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3-苯二羧酸,聚合2,2-二甲基-1,3-丙二醇,己二酸,4-羟基-γ-(4-羟基苯基)-γ-甲基苯丁酸,噁丙环基甲基新癸酸酯和1,2-丙二醇 在 亚硝酸特丁酯 、 copper dichloride 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以63%的产率得到5-chloro-2-iso-propyloxazole-4-carbonitrile
  参考文献：
  名称：

  α-Arylation of 3-Aryloxindoles

  摘要：

  A versatile method for the synthesis of 3,3-diaryloxindoies via Pd-catalyzed alpha-arylations or an SNAr reaction is described. The reaction proceeds using mild base, is tolerant of a variety of functional groups, and is capable of preparing hindered all-carbon quaternary centers.

  DOI：

  10.1021/ol100666v
• 作为产物：
  描述：

  对苯二磺酸氨基丙二酰丁氰 、 异丁酰氯 以 various solvent(s) 为溶剂， 以80%的产率得到1,3-苯二羧酸,聚合2,2-二甲基-1,3-丙二醇,己二酸,4-羟基-γ-(4-羟基苯基)-γ-甲基苯丁酸,噁丙环基甲基新癸酸酯和1,2-丙二醇
  参考文献：
  名称：

  Preparation of 2-alkyl- and 2-aryl-5-amino-4-cyano-1,3-oxazoles

  摘要：

  DOI：

  10.1016/s0040-4039(00)99083-x

文献信息

• A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain
  作者：Oakley B. Cox、Tobias Krojer、Patrick Collins、Octovia Monteiro、Romain Talon、Anthony Bradley、Oleg Fedorov、Jahangir Amin、Brian D. Marsden、John Spencer、Frank von Delft、Paul E. Brennan

  DOI：10.1039/c5sc03115j

  日期：——

  High concentration crystal soaking of poised fragments and one-step elaboration identified compound 17 as an inhibitor of the PHIP(2) bromodomain.

  高浓度晶体浸泡对准的片段和一步法阐述确定化合物17为PHIP(2)溴结构域的抑制剂。
• Synthesis and friedländer reactions of 5-amino-4-cyano-1,3-oxazoles
  作者：M CARREIRAS、A ELEUTERIO、C DIAS、M BRITO、D BRITES、J MARCOCONTELLES、E GOMEZSANCHEZ

  DOI：10.1016/s0385-5414(07)81101-4

  日期：2007.10.1

  The synthesis of 2-substituted 5-amino-4-cyano-1,3-oxazoles (1-4, 611) and the Friedlander-type reaction of compounds 1, 3, 4 is described. Compounds 13-17 are tacrine (18) analogues provided by the Friedlander reaction. The anti-cholinesterase activity of compounds 13, 14, 16 and 17 has been investigated.
• FREEMAN, FILLMORE;KIM, DARRICK S. H. L., TETRAHEDRON LETT., 30,(1989) N0, C. 2631-2632
  作者：FREEMAN, FILLMORE、KIM, DARRICK S. H. L.

  DOI：——

  日期：——
• ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I
  申请人：Ogawa Tomoyuki

  公开号：US20090131491A1

  公开（公告）日：2009-05-21

  Disclosed is a compound useful as an inhibitor of 11β-hydroxysteroid dehydrogenase type 1. A compound represented by the formula: a pharmaceutically acceptable salt or solvate thereof, wherein R 1 is a group of the formula: —C(═O)NR 4 R 5 , (wherein R 4 and R 5 are each independently, hydrogen, optionally substituted alkyl or the like) or a group of the formula: —NR 6 C(═O)R 7 , (wherein R 6 and R 7 are each independently, hydrogen, optionally substituted alkyl or the like), X and Y are each independently —O— or the like, Z is a bond or the like, R 2 is optionally substituted alkyl, optionally substituted alkenyl or the like, R 3 is optionally substituted alkyl, optionally substituted alkenyl or the like.
• US8017638B2
  申请人：——

  公开号：US8017638B2

  公开（公告）日：2011-09-13