2-Hydroxy-1.3-bis-hydroxymethyl-5-isopropyl-benzol | 54845-41-9

• 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-Hydroxy-1.3-bis-hydroxymethyl-5-isopropyl-benzol
• 英文别名: 2,6-Bis-hydroxymethyl-4-isopropyl-phenol；2-hydroxy-5-(1-methylethyl)-1,3-benzenedimethanol；1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)-；2,6-bis(hydroxymethyl)-4-propan-2-ylphenol
• CAS: 54845-41-9
• 化学式: C₁₁H₁₆O₃
• mdl: MFCD18971519
• 分子量: 196.246
• InChiKey: JOOOXGGAHUBKTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2906299090

反应信息

• 作为反应物：
  描述：

  2-Hydroxy-1.3-bis-hydroxymethyl-5-isopropyl-benzol 在 四溴化碳 、 sodium hydride 、 对甲苯磺酸 、 三苯基膦 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 19.83h， 生成 8-[[3-[(2,2-dimethyl-6-propan-2-yl-4H-1,3-benzodioxin-8-yl)methoxymethyl]-2-(methoxymethoxy)phenyl]methoxymethyl]-2,2-dimethyl-6-propan-2-yl-4H-1,3-benzodioxine
  参考文献：
  名称：

  Stepwise Construction of Some Hexahomooxacalix[3]arenes and Their Conformations in Solid State

  摘要：

  Hexahomooxacalix[3]arenes 1 bearing different substituents on their upper rim were synthesized from the corresponding Linear trimers 2 by the acid-catalyzed cyclization. The X-ray crystallographic analyses of 1 (R-1 = R-3 = H, R-2 = t-Bu, and R-1 = Et, R-2 = t-Bu, R-3 = i-Pr) revealed that they adopt a cone conformation, owing to an intramolecular hydrogen-bonded network in the solid state.

  DOI：

  10.1021/jo971945a
• 作为产物：
  描述：

  4-异丙基苯酚 生成 2-Hydroxy-1.3-bis-hydroxymethyl-5-isopropyl-benzol
  参考文献：
  名称：

  Strating; Backer, Recueil des Travaux Chimiques des Pays-Bas, 1943, vol. 62, p. 57,60

  摘要：

  DOI：

文献信息

• DEVELOPER FOR RECORDING MATERIALS
  申请人：Asahi Kasei Chemicals Corporation

  公开号：EP1637337A1

  公开（公告）日：2006-03-22

  A developer which contains a triphenolic compound (B) being a triphenolic compound (A) of the general formula (1) satisfying the requirements: (a) an OH group is present at one or more of 4- and 4'-positions of the left and right aromatic rings and (b) at least one of the substituents adjacent to at least one OH group on the left or right aromatic rings is hydrogen and which exhibits high sensitivity and image stability of images and less fog in non-image areas; and color forming materials and thermal recording materials made by using the same.

  一种含有三酚类化合物（B）的显影剂，该三酚类化合物（B）是通式（1）的三酚类化合物（A），满足以下要求：(a) 在左芳香环和右芳香环的 4- 位和 4'- 位中的一个或多个位置上有一个羟基；(b) 与左芳香环或右芳香环上的至少一个羟基相邻的取代基中至少有一个是氢，并且该显影剂具有高灵敏度和图像稳定性，非图像区域的雾气较少；以及使用该显影剂制成的色彩形成材料和热敏记录材料。
• Lamartine, Roger; Perrin, Robert; Vicens, Jacques, Molecular Crystals and Liquid Crystals (1969-1991), 1986, vol. 134, p. 219 - 236
  作者：Lamartine, Roger、Perrin, Robert、Vicens, Jacques、Gamet, Daniel、Perrin, Monique、et al.

  DOI：——

  日期：——
• A New Synthesis of Oxacalix[3]arene Macrocycles and Alkali-Metal-Binding Studies
  作者：Philip D. Hampton、Zsolt Bencze、Weidong Tong、Charles E. Daitch

  DOI：10.1021/jo00096a026

  日期：1994.8

  The title oxacalix[3]arene macrocycles 1 have been synthesized in yields of 12-32% by an acid-catalyzed, high-dilution condensation of 2,6-bis(hydroxymethyl)-p-subtituted-phenols, where R = t-Bu, i-Pr, Et, Me, and Cl. The macrocycles are isolated in high purity without chromatography, as the sodium or potassium,salts of their monoanions. Metal-binding studies indicate that, Like the related calixarenes, the oxacalix[3]arenes bind alkali metals only in the presence of base (Na(+)approximate to K+ > Li+).
• Synthesis and x-ray molecular structure of monodeoxycalix[5]arenes
  作者：Shuji Usui、Kazuhito Deyama、Rika Kinoshita、Yoshihiko Odagaki、Yoshimasa Fukazawa

  DOI：10.1016/s0040-4039(00)61470-3

  日期：1993.12

  A monodeoxycalix[5]arene was synthesized by stepwise methods. The structure found in crystal by X-ray diffraction is a 'partial cone' in which four contiguous phenol units form a helical intramolecular hydrogen bonding array and the OH-depleted ring has an inverted arrangement. N. O. E experiments support the partial cone structure in solution.
• High-molecular-weight novolak substituted phenolic resins and their preparation
  申请人：MITSUI PETROCHEMICAL INDUSTRIES, LTD.

  公开号：EP0032062B1

  公开（公告）日：1985-04-03