2-Methyl-2-[2-(2-pent-4-ynyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane | 43001-29-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Methyl-2-[2-(2-pent-4-ynyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane
• CAS: 43001-29-2
• 化学式: C₁₄H₂₂O₄
• 分子量: 254.326
• InChiKey: IAWCSNRCAMOXRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Methyl-2-[2-(2-pent-4-ynyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane 、 (E)-7-(tert-Butyl-diphenyl-silanyloxy)-3-methyl-hept-3-enal 在 正丁基锂 、 正己烷 作用下， 生成 (E)-12-(tert-Butyl-diphenyl-silanyloxy)-8-methyl-1-{2-[2-(2-methyl-[1,3]dioxolan-2-yl)-ethyl]-[1,3]dioxolan-2-yl}-dodec-8-en-4-yn-6-ol
  参考文献：
  名称：

  Rate enhancement of biomimetic polyene cyclizations by a cation-stabilizing auxiliary

  摘要：

  DOI：

  10.1021/ja00253a048

文献信息

• METHODS FOR PREPARING SYNTHETIC BILE ACIDS AND COMPOSITIONS COMPRISING THE SAME
  申请人：Moriarty Robert M.

  公开号：US20130261317A1

  公开（公告）日：2013-10-03

  This invention relates generally to methods for preparing certain bile acids from non-mammalian sourced starting materials as well as to synthetic bile acids and compositions comprising such acids wherein the acids are characterized by a different C 14 population than naturally occurring bile acids as well as being free from any mammalian pathogens. This invention is also directed to the synthesis of intermediates useful in the synthesis of such bile acids. Accordingly, the C ring of the steroidal scaffold is oxidized to provide a synthetic route and intermediates to DCA. This invention also provides synthetic methods for preparing deoxycholic acid or a salt thereof starting from aromatic steroids such as estrogen, equilenin, and derivatives thereof. This invention is also directed to intermediates such as 12-oxo or delta-9,11-ene steroids as well as novel processes for their preparation. In preferred embodiments, bile acids are provided herein which have substituents on the B-ring and/or D-ring side chain and optionally on the hydroxy group of the A-ring.

  本发明涉及从非哺乳动物来源的起始材料制备某些胆汁酸的方法，以及合成胆汁酸和包含这些酸的组合物，其中这些酸的特征是具有与自然存在的胆汁酸不同的C14种群，并且不含任何哺乳动物病原体。本发明还涉及合成在合成这种胆汁酸中有用的中间体。因此，甾体骨架的C环被氧化以提供合成路线和到DCA的中间体。本发明还提供了用芳香族类固醇（如雌激素、雌烯酮及其衍生物）起始制备脱氧胆酸或其盐的合成方法。本发明还涉及12-氧代或δ-9,11-烯类固醇等中间体以及其制备的新型过程。在首选实施例中，本发明提供了具有B环和/或D环侧链以及可选地具有A环羟基上取代基的胆汁酸。
• JOHNSON, WILLIAM S.;LINDELL, STEPHEN D.;STEELE, JOHN, J. AMER. CHEM. SOC., 109,(1987) N 19, 5852-5853
  作者：JOHNSON, WILLIAM S.、LINDELL, STEPHEN D.、STEELE, JOHN

  DOI：——

  日期：——
• [EN] METHODS FOR PREPARING SYNTHETIC BILE ACIDS AND COMPOSITIONS COMPRISING THE SAME<br/>[FR] MÉTHODES DE SYNTHÈSE D'ACIDES BILIAIRES SYNTHÉTIQUES ET COMPOSITIONS LES INCLUANT
  申请人：KYTHERA BIOPHARMACEUTICALS INC

  公开号：WO2012047495A2

  公开（公告）日：2012-04-12

  This invention relates generally to methods for preparing certain bile acids from non-mammalian sourced starting materials as well as to synthetic bile acids and compositions comprising such acids wherein the acids are characterized by a different C14 population than naturally occurring bile acids as well as being free from any mammalian pathogens. This invention is also directed to the synthesis of intermediates useful in the synthesis of such bile acids. Accordingly, the C ring of the steroidal scaffold is oxidized to provide a synthetic route and intermediates to DCA. This invention also provides synthetic methods for preparing deoxycholic acid or a salt thereof starting from aromatic steroids such as estrogen, equilenin, and derivatives thereof. This invention is also directed to intermediates such as 12-oxo or delta-9,11-ene steroids as well as novel processes for their preparation. In preferred embodiments, bile acids are provided herein which have substituents on the B-ring and/or D-ring side chain and optionally on the hydroxy group of the A-ring.
• Rate enhancement of biomimetic polyene cyclizations by a cation-stabilizing auxiliary
  作者：William S. Johnson、Stephen D. Lindell、John Steele

  DOI：10.1021/ja00253a048

  日期：1987.9