3,4-octanediol | 70859-23-3

• 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: 3,4-octanediol
• 英文别名: (3RS,4SR)-octane-3,4-diol；(+/-)-erythro-octane-3,4-diol；(+/-)-erythro-Octan-3,4-diol；erythro-Octandiol-3,4；(3S,4R)-octane-3,4-diol
• CAS: 70859-23-3；70859-24-4；99799-31-2
• 化学式: C₈H₁₈O₂
• 分子量: 146.23
• InChiKey: UJWVPVVMYOBBIY-JGVFFNPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.31
• 重原子数：
  10.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.46
• 氢给体数：
  2.0
• 氢受体数：
  2.0

安全信息

• 海关编码：
  2905399090

反应信息

• 作为产物：
  描述：

  Ethylhexonol 生成 3,4-octanediol
  参考文献：
  名称：

  NAKATA, TADASHI;TANAKA, TADASU;OISHI, TAKESHI, TETRAHEDRON LETT., 1983, 24, N 26, 2653-2656

  摘要：

  DOI：

文献信息

• Stereoselective reduction of α-hydroxy ketones
  作者：Tadashi Nakata、Tadasu Tanaka、Takeshi Oishi

  DOI：10.1016/s0040-4039(00)87969-1

  日期：1983.1

  Reduction of α-hydroxy ketones with zinc horohydride afforded the -glycols in high stereoselectivity, while reduction of their α-(t-butyldiphenylsily)oxy derivatives with sodium bis(2-methoxyethoxy)aluminum hydride gave the isomeric . The structure-stereoselectivity relationship has been discussed.

  用卤化锌还原α-羟基酮得到高立体选择性的-二醇，而用双（2-甲氧基乙氧基）氢化铝钠还原其α-（叔丁基二苯基甲硅烷基）氧基衍生物得到异构体。已经讨论了结构-立体选择性关系。
• Stereochemistry of the Hemlock Alkaloids. I. Conhydrine
  作者：Richard K. Hill

  DOI：10.1021/ja01540a025

  日期：1958.4
• Sicher; Tichy, Collection of Czechoslovak Chemical Communications, 1958, vol. 23, p. 2081,2088
  作者：Sicher、Tichy

  DOI：——

  日期：——
• Ruthenium- and lipase-catalyzed DYKAT of 1,2-diols: an enantioselective synthesis of syn-1,2-diacetates
  作者：Michaela Edin、Belén Martín-Matute、Jan-E. Bäckvall

  DOI：10.1016/j.tetasy.2006.02.011

  日期：2006.2

  Regio- and stercoselective lipase-catalyzed kinetic resolutions were investigated for some unsymmetrical, secondary/secondary syn-diols. Candida antarctica lipase B-catalyzed transesterifications of a few aryl/alkyl- and alkyl/alkyl 1,2-diols were coupled in one-pot for efficient ruthenium-catalyzed epimerization and intramolecular acyl migration to give a dynamic kinetic asymmetric transformation (DYKAT) affording enantioenriched (ee up to > 99%) syn-diacetates as the main diastereomers (sywanti similar to 2:1 to 10:1). (c) 2006 Elsevier Ltd. All rights reserved.
• Biosynthesis of the Hemlock Alkaloids. The Incorporation of Acetate-1-C¹⁴ into Coniine and Conhydrine
  作者：Edward. Leete

  DOI：10.1021/ja01066a039

  日期：1964.6