(E)-2-methyl-4-hexene-1,3-diol | 113489-76-2

• 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: (E)-2-methyl-4-hexene-1,3-diol
• 英文别名: (E)-2-methylhex-4-ene-1,3-diol
• CAS: 113489-76-2
• 化学式: C₇H₁₄O₂
• 分子量: 130.187
• InChiKey: PIMHDOZTZVCKAW-ONEGZZNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 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：

  (E)-2-methyl-4-hexene-1,3-diol 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 、 邻二甲苯 为溶剂， 反应 6.5h， 生成 (E,3S*,6R*)-7-<(tert-butyldimethylsilyl)oxy>-3,6-dimethyl-4-heptenoic acid, dimethylamide
  参考文献：
  名称：

  Acyclic stereoselection. Part 42. 1,4- and 1,5-Stereoselection by sequential aldol addition to a .alpha.,.beta.-unsaturated aldehydes followed by Claisen rearrangement. Application to total synthesis of the vitamin E side chain and the archaebacterial C40 diol

  摘要：

  DOI：

  10.1021/jo00244a017
• 作为产物：
  描述：

  (E)-3-Hydroxy-2-methyl-hex-4-enoic acid 2,6-di-tert-butyl-4-methyl-phenyl ester 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 (E)-2-methyl-4-hexene-1,3-diol
  参考文献：
  名称：

  Acyclic stereoselection. Part 42. 1,4- and 1,5-Stereoselection by sequential aldol addition to a .alpha.,.beta.-unsaturated aldehydes followed by Claisen rearrangement. Application to total synthesis of the vitamin E side chain and the archaebacterial C40 diol

  摘要：

  DOI：

  10.1021/jo00244a017

文献信息

• Regiochemically and stereochemically defined synthesis of allylsilanes
  作者：Shinji Marumoto、Isao Kuwajima

  DOI：10.1021/ja00073a018

  日期：1993.10

  Allyl sulfides containing a siloxy or hydroxy group at appropriate positions were successfully converted by two methods into two types of allylsilanes with almost complete stereo- and regiocontrol. In one method, an allyllithium was generated from the siloxy compound after which the silyl group migrated from oxygen to the carbanionic site. The reaction of 4-[[(trimethylsilyl)oxy]methyl]-3-methyl-2-cyclohexenyl phenyl sulfide with lithium di-tert-butylbiphenylide (LDBB) led to an exclusive formation of (1R*,2R*)-2-methyl-2-(trimethylsilyl)-3-cyclohexene-1-methanol. The second method involved the silylation of an oxyanion-carbanion. Using this method, (1R*,4R*)-1-methyl-4-(trimethylsilyl)-2-cyclohexene-1-methanol was obtained by treating its lithium alkoxide with LDBB followed by silylation with chlorotrimethylsilane.
• VESICLE COMPOSITION
  申请人：Yamamoto Yumiko

  公开号：US20140018443A1

  公开（公告）日：2014-01-16

  The present invention is to provide a vesicle composition comprising the following components (A), (B) and (C): (A) 0.0001 to 20 mass % of an organic acid represented by general formula (1): wherein R 1 represents a natural sterin having a single hydroxy group or a hydrogenated product thereof or a residue which remains after a hydrogen atom is removed from the hydroxy group of bile acid, R 2 represents a divalent hydrocarbon group having 1 to 24 carbon atoms, M represents a hydrogen atom, an alkali metal, an alkali earth metal, ammonium, an alkanolammonium having 2 to 9 carbon atoms in total, an alkylammonium or alkenylammonium having 1 to 22 carbon atoms in total, pyridinium substituted with an alkyl group or alkenyl group having 1 to 18 carbon atoms or a basic amino acid, (B) 0.0001 to 10 mass % of a sphingosine, and (C) water, and having a pH of 2 to 11.
• Emulsified Cosmetic Composition
  申请人：Kao Corporation

  公开号：US20150133550A1

  公开（公告）日：2015-05-14

  An emulsified cosmetic composition comprising the following ingredients (A), (B), (C), and (D): (A) 0.1% by weight or more and 15% by weight or less of at least one compound selected from the group consisting of a sphingosine or a salt thereof, a pseudo-sphingosine or a salt thereof, and an ionic surfactant, (B) at least one compound selected from the group consisting of a monoglyceryl di-fatty acid ester and a sorbitan di-fatty acid ester, (C) at least one compound selected from the group consisting of a ceramide, an alcohol having 12 to 22 carbon atoms, a monoglyceryl mono-C12 to C22 fatty acid ester, a mono-C12 to C22 alkyl glyceryl ether, and a sorbitan mono-C12 to C22 fatty acid ester, and (D) water, wherein in the ingredients (A), (B), and (C), (1) a weight ratio of (A)/((B)+(C)) is 0.04 or more and 1 or less, (2) a mole fraction of (B)/((B)+(C)) is 0.02 or more and 0.45 or less, and (3) a maximum mole fraction of one compound as a single component in the ingredient (B) and the ingredient (C) is 0.2 or more and 0.8 or less.
• US8501234B2
  申请人：——

  公开号：US8501234B2

  公开（公告）日：2013-08-06
• US8647649B2
  申请人：——

  公开号：US8647649B2

  公开（公告）日：2014-02-11