6-phenylhexane-1,2,3-triol | 1400695-43-3

• 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: 6-phenylhexane-1,2,3-triol
• CAS: 1400695-43-3
• 化学式: C₁₂H₁₈O₃
• 分子量: 210.273
• InChiKey: YNHFDRKCOXXAAF-UHFFFAOYSA-N

物化性质

• 沸点：
  409.2±45.0 °C(Predicted)
• 密度：
  1.158±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-phenylhexane-1,2,3-triol 在 1‐methyl‐2‐azaadamantane‐N‐oxyl 、 碘苯二乙酸 、 四丁基溴化铵 作用下， 以 水 、 乙腈 为溶剂， 反应 2.0h， 以99%的产率得到4-苯基丁酸
  参考文献：
  名称：

  硝基氧自由基/ PhI（OAc）2：邻苯二甲酸二酯一锅氧化裂解为（Di）羧酸

  摘要：

  描述了使用AZADO和PhI（OAc）2对邻二醇进行温和且易于使用的一锅氧化裂解为相应的（二）羧酸的方法。1,2-二醇和2,3-二醇以及1,2,3-三醇生成一个或两个碳单元短的羧酸。内部邻位二醇也顺利进行一锅氧化裂解，得到相应的二羧酸。环状邻位二醇被转化为其相应的开放形式二元羧酸。

  DOI：

  10.1021/ol3021435

文献信息

• Antimicrobial compositions
  申请人：Symrise AG

  公开号：EP2807925A1

  公开（公告）日：2014-12-03

  Suggested is an antimicrobial agent comprising at least one glycerylether of formula (I) in which R1 represents a benzyl, methylbenzyl, phenlethyl, or phenylpropyl radical, or a glycerylether of formula (II) in which R2 stands for a linear or branched alkyl radical having 2 to 12 carbon atoms.

  建议的抗菌剂包含至少一种式 (I) 的甘油醚 其中 R1 代表苄基、甲基苄基、苯基乙基或苯基丙基，或式（II）的聚甘醚 其中 R2 代表具有 2 至 12 个碳原子的直链或支链烷基。
• Organocatalytic One-Pot Oxidative Cleavage of Terminal Diols to Dehomologated Carboxylic Acids
  作者：Masatoshi Shibuya、Ryu̅suke Doi、Takuro Shibuta、Shun-ichiro Uesugi、Yoshiharu Iwabuchi

  DOI：10.1021/ol3021429

  日期：2012.10.5

  The organocatalytic one-pot oxidative cleavage of terminal 1,2-diols to one-carbon-unit-shorter carboxylic acids is described. The combination of 1-Me-AZADO (cat.), NaOCl (cat.), and NaClO2 caused smooth one-pot oxidative cleavage under mild conditions. A broad range of substrates including carbohydrates and N-protected amino diols were converted without epimerization. Terminal triols and tetraols respectively underwent cleavage of their C-2 and C-3 moieties to afford their corresponding two- and three-carbon-unit-shorter carboxylic acids.
• Antimicrobial Compositions Comprising Glyceryl Ethers
  申请人：SYMRISE AG

  公开号：US20160100574A1

  公开（公告）日：2016-04-14

  Suggested is an antimicrobial agent comprising at least one glycerylether of formula (I) in which R 1 represents a benzyl, methylbenzyl, phenlethyl, or phenylpropyl radical, or a glycerylether of formula (II) in which R 2 stands for a linear or branched alkyl radical having 2 to 12 carbon atoms, on condition that in case of glycerylethers of formula (II) two or three of said species are present.
• [EN] ANTIMICROBIAL COMPOSITIONS COMPRISING GLYCERYL ETHERS<br/>[FR] COMPOSITIONS ANTIMICROBIENNES COMPRENANT DES ÉTHERS GLYCÉRYLIQUES
  申请人：SYMRISE AG

  公开号：WO2014191258A2

  公开（公告）日：2014-12-04

  Suggested is an antimicrobial agent comprising at least one glycerylether of formula (I) in which R1 represents a benzyl, methylbenzyl, phenlethyl, or phenylpropyl radical, or a glycerylether of formula (II) in which R2 stands for a linear or branched alkyl radical having 2 to 12 carbon atoms, on condition that in case of glycerylethers of of formula (II) two or three of said species are present.