1,3-adamantyldiacetic acid di-n-butyl ester | 56432-69-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,3-adamantyldiacetic acid di-n-butyl ester
• 英文别名: Butyl 2-[3-(2-butoxy-2-oxoethyl)-1-adamantyl]acetate
• CAS: 56432-69-0
• 化学式: C₂₂H₃₆O₄
• 分子量: 364.525
• InChiKey: RPMLKRRKDNARLA-UHFFFAOYSA-N

物化性质

• 沸点：
  163-170 °C(Press: 0.2 Torr)
• 密度：
  1.062±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  26
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,3-金刚烷二乙酸 生成 1,3-adamantyldiacetic acid di-n-butyl ester
  参考文献：
  名称：

  AIGAMI K.; INAMOTO Y.; TAKAISHI N.; HATTORI K.; TAKATSUKI A.; TAMURA G., J. MED. CHEM. , 1975, 18, NO 7, 713-721

  摘要：

  DOI：

文献信息

• Biologically active polycycloalkanes. 1. Antiviral adamantane derivatives
  作者：Koji Aigami、Yoshiaki Inamoto、Naotake Takaishi、Kenichi Hattori、Akira Takatsuki、Gakuzo Tamura

  DOI：10.1021/jm00241a015

  日期：1975.7

  acids and 1,3-adamantanediacetic acid (11). Some adamantylpyrimidines (24) and -purines (25 and 26) were also prepared. Antiviral activities of the compounds obtained in this work and a series of new 1-adamantyl alkyl ketones synthesized before, together with those of some known adamantane derivatives, were tested in vitro on monolayer culture of chick ambryo fibroblasts against Newcastle disease virus

  描述了合成1-取代的3-金刚烷基氯化物和溴化物（2），1-金刚烷基苯酚和-甲酚（3），1-金刚烷酸（6）以及1,3-金刚烷二乙酸（11）的简便方法。从这些关键中间体合成了几种新颖的衍生物：由金刚烷基酚（3）和酯（7、12和22），酰胺（13和18），硫代酰胺（9和16）形成的金刚烷基环己醇（4）和-环己酮（5）。 ，1-金刚烷羧酸（19）和-乙酸（6）酸，1,3-金刚烷二乙酸（11）中的am，（10），腈（15）和胺（14和17）。还制备了一些金刚烷嘧啶（24）和-嘌呤（25和26）。在这项工作中获得的化合物以及之前合成的一系列新的1-金刚烷基烷基酮以及某些已知的金刚烷衍生物的抗病毒活性，
• FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, RESIN COMPOSITION CONTAINING THE SAME, AND ANTIREFLECTION FILM
  申请人：Idemitsu Kosan Co., Ltd.

  公开号：EP2014639A1

  公开（公告）日：2009-01-14

  To provide a polymerizable group-containing and fluorine-containing adamantane derivative capable of affording a cured product having good heat resistance, good mechanical properties such as mar resistance and a low refractive index, a resin composition containing such a polymerizable group-containing adamantane derivative, and a fluorine-containing adamantane derivative which is useful as a reaction intermediate used for the production of the polymerizable group-containing and fluorine-containing adamantane derivative. Specifically provided are a fluorine-containing adamantane derivative represented by the general formula (I) below, a polymerizable group-containing and fluorine-containing adamantane derivative represented by the general formula (II) below, and a resin composition containing such a polymerizable group-containing and fluorine-containing adamantane derivative. In the formula, R1 and R2 are each a hydrogen atom, for example, n is an integer of 0 or more, X1 is a polymerizable group represented by the formula (III-a), for example, Y is a hydrogen atom, for example, s and t are each an integer of 1 to 15, and u is an integer of 0 to 14, with the proviso that s + t + u = 16.

  提供一种含聚合基团和含氟的金刚烷衍生物，能够提供具有良好耐热性、良好机械性能（如耐磨性）和低折射率的固化产物，包含该聚合基团含有金刚烷衍生物的树脂组合物，以及作为用于生产含聚合基团和含氟的金刚烷衍生物的反应中间体的氟化金刚烷衍生物。具体提供了以下通用公式（I）所表示的氟化金刚烷衍生物，以下通用公式（II）所表示的聚合基团含有和含氟的金刚烷衍生物，以及含有这种聚合基团含有和含氟的金刚烷衍生物的树脂组合物。在公式中，R1和R2分别是氢原子，例如，n是大于等于0的整数，X1是由公式（III-a）表示的聚合基团，例如，Y是氢原子，例如，s和t分别是1到15的整数，u是0到14的整数，但须满足s + t + u = 16。
• Diesters of dicarboxylic acids of the adamantane series: Synthesis, physicochemical properties, and thermo-oxidative stability
  作者：E. A. Ivleva、M. R. Baimuratov、V. S. Gavrilova、Yu. A. Zhuravleva、Yu. N. Klimochkin、I. A. Kulikova、V. V. Pozdnyakov、N. A. Sheikina、V. A. Tyshchenko、K. B. Rudyak

  DOI：10.1134/s096554411508006x

  日期：2015.11

  A series of diesters of 1,3-adamantyldiacetic, 5-ethyl-1,3-adamantanedicarboxylic, and 5-ethyl-3-carboxy-1-adamantylacetic acids have been synthesized, and their physicochemical and thermo-oxidative properties have been studied. The properties of the diesters have been compared with those of the adamantane carboxylic acid diesters studied earlier and diesters of adipic and sebacic acids.
• AIGAMI K.; INAMOTO Y.; TAKAISHI N.; HATTORI K.; TAKATSUKI A.; TAMURA G., J. MED. CHEM. <JMCM-AR>, 1975, 18, NO 7, 713-721
  作者：AIGAMI K.、 INAMOTO Y.、 TAKAISHI N.、 HATTORI K.、 TAKATSUKI A.、 TAMURA G.

  DOI：——

  日期：——