5-乙基金刚烷-1,3-二甲酸 | 313241-29-1

• 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
• 中文名称: 5-乙基金刚烷-1,3-二甲酸
• 中文别名: 1-乙基-3,5-金刚烷二甲酸
• 英文名称: 5-ethyl-1,3-adamantanedicarboxylic acid
• 英文别名: 5-ethyladamantane-1,3-dicarboxylic acid；1-Ethyl-3,5-adamantanedicarboxylic acid
• CAS: 313241-29-1
• 化学式: C₁₄H₂₀O₄
• 分子量: 252.31
• InChiKey: GEAXZIJGUHWTIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-乙基金刚烷-1,3-二甲酸 在 manganese(IV) oxide 、 硫酸 作用下， 以65%的产率得到1,3-二羟基-5-乙基金刚烷
  参考文献：
  名称：

  Synthesis of hydroxy derivatives from adamantanecarboxylic acids in the system MnO2–H2SO4

  摘要：

  A convenient procedure has been developed for the synthesis of mono- and dihydric cage alcohols from adamantanecarboxylic acids and their esters using the MnO2-H2SO4 system. The reaction at elevated temperature involved both decarboxylation and decarbonylation of the initial acid or ester.

  DOI：

  10.1134/s1070428016060051
• 作为产物：
  描述：

  5-ethyl-1,3-adamantanediol dinitrate 、 甲酸 、 硫酸 以81%的产率得到
  参考文献：
  名称：

  KLIMOCHKIN, YU. N.;SHIRYAEV, A. K.;STULIN, N. V., SINTEZ HOB. POLITSIKLICH. I GETEROTSIKLICH. SOED., KUJBYSHEV,(1989) S. 69+

  摘要：

  DOI：

文献信息

• Oxidation of Deactivated Cage Substrates in the System H2SO4–HNO3
  作者：E. A. Ivleva、I. S. Grinʼ、I. S. Uchaev、Yu. N. Klimochkin

  DOI：10.1134/s1070428020030082

  日期：2020.3

  the adamantane series in the system H2SO4–HNO3 have been studied, and the effective rate constants have been determined. The reaction is described by the pseudo-first-order kinetic equation. The primary kinetic isotope effect has been estimated at 2.9±0.3. The rate-determining step of the oxidation process is cleavage of the adamantane C–H bond. The presence of an ethyl group at the bridgehead position

  摘要研究了H 2 SO 4 -HNO 3体系中16种金刚烷系列羧酸酯的氧化动力学 ，并确定了有效的速率常数。该反应由拟一级动力学方程式描述。初步的动力学同位素效应估计为2.9±0.3。氧化过程的决定速率的步骤是金刚烷CH键的断裂。在桥头位置存在乙基会增加金刚烷底物对氧化的反应性，而甲基，乙氧羰基和乙氧羰基甲基会降低反应性。
• Polymerizable silica sol, adamantane derivative for use in the sol and cured resin prepared using the same
  申请人：KAWASAKI STEEL CORPORATION

  公开号：EP0460560A2

  公开（公告）日：1991-12-11

  This invention provides polymerizable silica sols in which at least one monomer containing double bond is used as its dispersion medium, especially a silica sol in which the monomer containing double bond is a monomer containing double bond and OH group or is a monomer having an adamantane structure. This invention also provides compositions which comprise these silica sols as composing elements, cured resins that are obtained by polymerizing these silica sols alone or together with other copolymerizable components, and new adamantane derivatives for use in these silica sols.

  本发明提供了可聚合硅溶胶，其中至少使用了一种含双键的单体作为其分散介质，特别是一种硅溶胶，其中含双键的单体是含双键和 OH 基团的单体或具有金刚烷结构的单体。本发明还提供了以这些硅溶胶为组成元素的组合物、通过单独聚合这些硅溶胶或与其他可共聚组分一起聚合而得到的固化树脂，以及用于这些硅溶胶的新金刚烷衍生物。
• 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.
• US5332779A
  申请人：——

  公开号：US5332779A

  公开（公告）日：1994-07-26
• Synthesis of hydroxy derivatives from adamantanecarboxylic acids in the system MnO2–H2SO4
  作者：E. A. Ivleva、V. S. Gavrilova、Yu. N. Klimochkin

  DOI：10.1134/s1070428016060051

  日期：2016.6

  A convenient procedure has been developed for the synthesis of mono- and dihydric cage alcohols from adamantanecarboxylic acids and their esters using the MnO2-H2SO4 system. The reaction at elevated temperature involved both decarboxylation and decarbonylation of the initial acid or ester.