1-phenyl-1,3-hexanediol | 66675-87-4

• 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: 1-phenyl-1,3-hexanediol
• 英文别名: 1-phenyl-hexane-1,3-diol；Opt.-inakt. 1.3-Dihydroxy-1-phenyl-hexan；1-Phenyl-hexan-1,3-diol；1-Phenylhexane-1,3-diol
• CAS: 66675-87-4
• 化学式: C₁₂H₁₈O₂
• 分子量: 194.274
• InChiKey: ZJQLLZNUMYXJLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-phenyl-1,3-hexanediol 、 2,2-二甲氧基丙烷 在 camphor-10-sulfonic acid 作用下， 以 丙酮 为溶剂， 反应 0.5h， 生成 cis-2,2-dimethyl-4-phenyl-6-propyl-1,3-dioxane 、 trans-2,2-dimethyl-4-phenyl-6-propyl-1,3-dioxane
  参考文献：
  名称：

  Behrens, Karin; Kneisel, Boris O.; Noltemeyer, Mathias, Liebigs Annalen, 1995, # 2, p. 385 - 400

  摘要：

  DOI：
• 作为产物：
  描述：

  (3-hydroxy-1-phenyl)-acetate 在 氢氧化钾 作用下， 生成 1-phenyl-1,3-hexanediol
  参考文献：
  名称：

  苯乙烯与醛的反应。

  摘要：

  DOI：

  10.1021/jo01181a013

文献信息

• Direct enantioselective synthesis of syn-1,3-diols by the reaction of aldehydes with enol silyl ethers in the presence of a chiral borane complex. Successive asymmetric aldol reaction and asymmetric reduction with one promoter
  作者：Yuichi Kaneko、Takao Matsuo、Syun-ichi Kiyooka

  DOI：10.1016/s0040-4039(00)73125-x

  日期：1994.6

  A stoichiometric amount of the chiral borane 1 turned out to successively promote the asymmetric aldol reaction of aldehydes with enol silyl ethers and the following asymmetric reduction in one pot to afford syn-1,3-diols with high enantioselectivity.

  证明化学计量的手性硼烷1可连续地促进醛与烯醇甲硅烷基醚的不对称醛醇缩合反应，以及随后在一个罐中的不对称还原，以提供具有高对映选择性的合成-1，3-二醇。
• Histone Deacetylase and Tubulin Deacetylase Inhibitors
  申请人：Mazitschek Ralph

  公开号：US20090209590A1

  公开（公告）日：2009-08-20

  In recognition of the need to develop novel therapeutic agents and efficient methods for the synthesis thereof, the present invention provides novel inhibitors of histone deacetylases, tubulin deacetylases, and/or aggresome inhibitors, and pharmaceutically acceptable salts and derivatives thereof. The inventive compounds fall into two classes—“isotubacin” class and “isoisotubacin” class—all of which include a 1,3-dioxane core. The present invention further provides methods for treating disorders regulated by histone deacetylase activity, tubulin deacetylase activity, and/or the aggresome (e.g., proliferative diseases, cancer, inflammatory diseases, protozoal infections, protein degradation disorders, protein deposition disorders, etc.) comprising administering a therapeutically effective amount of an inventive compound to a subject in need thereof. The present invention also provides methods for preparing compounds of the invention.
• US8304451B2
  申请人：——

  公开号：US8304451B2

  公开（公告）日：2012-11-06
• THE REACTION OF STYRENE WITH ALDEHYDES
  作者：WILLIAM S. EMERSON

  DOI：10.1021/jo01181a013

  日期：1945.9
• Behrens, Karin; Kneisel, Boris O.; Noltemeyer, Mathias, Liebigs Annalen, 1995, # 2, p. 385 - 400
  作者：Behrens, Karin、Kneisel, Boris O.、Noltemeyer, Mathias、Brueckner, Reinhard

  DOI：——

  日期：——