(+/-)-2,3,3-trimethylhex-4-ynoic acid | 505066-94-4

• 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: (+/-)-2,3,3-trimethylhex-4-ynoic acid
• 英文别名: 2,3,3-Trimethylhex-4-ynoic acid
• CAS: 505066-94-4
• 化学式: C₉H₁₄O₂
• 分子量: 154.209
• InChiKey: KYDGEJUVLBFYKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (+/-)-4-carbamoylbutyric acid 2-bromo-3-methyl-1-(trimethylsilanyl)but-2-enyl ester 在 六甲基磷酰三胺 、 sodium hydride 、 叔丁基二甲基氯硅烷 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 乙二醇二甲醚 为溶剂， 反应 10.66h， 生成 (+/-)-2,3,3-trimethylhex-4-ynoic acid
  参考文献：
  名称：

  Enantioselective Syntheses of Ring-C Precursors of Vitamin B₁₂. Substrate Control. A Novel Si-Assisted Elimination of Vinyl Bromides

  摘要：

  [GRAPHICS]Homochiral ring-C precursors 34 of Vitamin B-12 have been prepared by Ireland-Claisen rearrangement of allyl esters 32, followed by a novel Si-assisted elimination of HBr.

  DOI：

  10.1021/ol036061u

文献信息

• PROSTACYCLIN DERIVATIVES
  申请人：Tung Roger

  公开号：US20100184862A1

  公开（公告）日：2010-07-22

  This invention relates to novel prostacyclin derivatives, their acceptable acid addition salts, solvates, hydrates and polymorphs thereof. The invention also provides compositions comprising a compound of this invention and the use of such compositions in methods of treating diseases and conditions beneficially treated by prostacyclin, and in particular those diseases and conditions beneficially treated by dilators of systemic and pulmonary arterial vascular beds or by platelet aggregation inhibitors.

  本发明涉及新型前列环素衍生物及其可接受的酸加盐、溶剂、水合物和多晶形态。本发明还提供了包含本发明化合物的组合物，并且提供了使用这些组合物治疗疾病和状况的方法，这些疾病和状况通过扩张系统和肺动脉血管床或通过血小板聚集抑制剂得到有益治疗。
• Enantioselective Syntheses of Ring-C Precursors of Vit. B₁₂. Reagent Control
  作者：Peter A. Jacobi、Yongkai Li

  DOI：10.1021/ol0275116

  日期：2003.3.1

  [GRAPHICS]Enelactones of the general structure S-(-)-I were prepared in three steps from alcohol 21 and acids 22 (ee approximate to 85%). Lactones S-(-)-I are versatile precursors to enelactams II of the type found in Vitamin B-12.
• Enantioselective Syntheses of Ring-C Precursors of Vitamin B₁₂. Substrate Control. A Novel Si-Assisted Elimination of Vinyl Bromides
  作者：Peter A. Jacobi、Carlos Tassa

  DOI：10.1021/ol036061u

  日期：2003.12.1

  [GRAPHICS]Homochiral ring-C precursors 34 of Vitamin B-12 have been prepared by Ireland-Claisen rearrangement of allyl esters 32, followed by a novel Si-assisted elimination of HBr.