2,6-Ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-[4-(11-sulfanylundecoxy)phenyl]methylidene]cyclohexa-2,5-dien-1-one | 185843-37-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,6-Ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-[4-(11-sulfanylundecoxy)phenyl]methylidene]cyclohexa-2,5-dien-1-one
• 英文别名: 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-[4-(11-sulfanylundecoxy)phenyl]methylidene]cyclohexa-2,5-dien-1-one
• CAS: 185843-37-2
• 化学式: C₄₆H₆₈O₃S
• 分子量: 701.11
• InChiKey: HSHSKRXLBANJTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.3
• 重原子数：
  50
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  47.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,6-Ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-[4-(11-sulfanylundecoxy)phenyl]methylidene]cyclohexa-2,5-dien-1-one 在 air 作用下， 以 四氢呋喃 、 sodium hydroxide 为溶剂， 以100%的产率得到2,6-Ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-[4-[11-[11-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]phenoxy]undecyldisulfanyl]undecoxy]phenyl]methylidene]cyclohexa-2,5-dien-1-one
  参考文献：
  名称：

  Preparation and characterization of a bis-galvinoxyl-disulfide

  摘要：

  The synthesis of a biradical disulfide is described. This biradical exhibits an EPR spectrum consistent with /J/>>a. Cyclic voltammetry of monolayers of this biradical shows that the radical monolayer exhibits less pH-dependence than its phenol counterpart. Copyright (C) 1996 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(96)02067-9
• 作为产物：
  描述：

  11-溴-1-十一醇 在 盐酸 、 甲醇 、 sodium hydroxide 、 水 、 potassium carbonate 、 N,N-二异丙基乙胺 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 二氯甲烷 为溶剂， 生成 2,6-Ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-[4-(11-sulfanylundecoxy)phenyl]methylidene]cyclohexa-2,5-dien-1-one
  参考文献：
  名称：

  Preparation and characterization of a bis-galvinoxyl-disulfide

  摘要：

  The synthesis of a biradical disulfide is described. This biradical exhibits an EPR spectrum consistent with /J/>>a. Cyclic voltammetry of monolayers of this biradical shows that the radical monolayer exhibits less pH-dependence than its phenol counterpart. Copyright (C) 1996 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(96)02067-9

文献信息

• Preparation and characterization of a bis-galvinoxyl-disulfide
  作者：David A. Shultz、Qi Zhao

  DOI：10.1016/s0040-4039(96)02067-9

  日期：1996.12

  The synthesis of a biradical disulfide is described. This biradical exhibits an EPR spectrum consistent with /J/>>a. Cyclic voltammetry of monolayers of this biradical shows that the radical monolayer exhibits less pH-dependence than its phenol counterpart. Copyright (C) 1996 Elsevier Science Ltd.