2,6-di(diphenylhydroxymethyl)spiro[3.3]heptane | 858801-94-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 2,6-di(diphenylhydroxymethyl)spiro[3.3]heptane
• 英文别名: 2,6-bis-(α-hydroxy-benzhydryl)-spiro[3.3]heptane；2,6-Bis-(α-hydroxy-benzhydryl)-spiro[3.3]heptan；[2-[Hydroxy(diphenyl)methyl]spiro[3.3]heptan-6-yl]-diphenylmethanol
• CAS: 858801-94-2
• 化学式: C₃₃H₃₂O₂
• 分子量: 460.616
• InChiKey: AVCHYSDGGACFDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 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：

  2,6-di(diphenylhydroxymethyl)spiro[3.3]heptane 在 sodium oxalate 、 草酸 作用下， 反应 2.0h， 以70%的产率得到2.6-Bis-diphenylmethylen-spiro<3.3>heptan
  参考文献：
  名称：

  Synthesis of Conformationally Constrained Diaminodicarboxylic Acid Derivatives

  摘要：

  Functionally protected forms of three conformationally constrained diaminodicarboxylic acids were synthesized and characterized. 2,2'-Diaminospiro[3.3]heptane-2,2'-dicarboxylic acid, an analogue of diaminopimelic acid, was prepared in racemic form and the structure established by X-ray crystallographic analysis of the methyl ester hydrochloride. trans-1,4-Diaminocyclohexane-1,4-dicarboxylic acid was prepared and its structure established by X-ray crystallographic analysis of the corresponding Cbz-protected ethyl ester. cis- and trans-2,6-diamino-1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxylic acids were synthesized and the structures assigned by X-ray crystallographic analysis of the corresponding Boc-protected ethyl ester and Cbz-protected ethyl ester, respectively.

  DOI：

  10.1021/jo901892d
• 作为产物：
  描述：

  螺[3.3]庚烷-2,6-二羧酸,2,6-二甲酯 、 苯基溴化镁 在 水 、 氯化铵 作用下， 以 乙醚 为溶剂， 以98%的产率得到2,6-di(diphenylhydroxymethyl)spiro[3.3]heptane
  参考文献：
  名称：

  Synthesis of Conformationally Constrained Diaminodicarboxylic Acid Derivatives

  摘要：

  Functionally protected forms of three conformationally constrained diaminodicarboxylic acids were synthesized and characterized. 2,2'-Diaminospiro[3.3]heptane-2,2'-dicarboxylic acid, an analogue of diaminopimelic acid, was prepared in racemic form and the structure established by X-ray crystallographic analysis of the methyl ester hydrochloride. trans-1,4-Diaminocyclohexane-1,4-dicarboxylic acid was prepared and its structure established by X-ray crystallographic analysis of the corresponding Cbz-protected ethyl ester. cis- and trans-2,6-diamino-1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxylic acids were synthesized and the structures assigned by X-ray crystallographic analysis of the corresponding Boc-protected ethyl ester and Cbz-protected ethyl ester, respectively.

  DOI：

  10.1021/jo901892d

文献信息

• Backer; Kemper, Recueil des Travaux Chimiques des Pays-Bas, 1938, vol. 57, p. 1249,1252
  作者：Backer、Kemper

  DOI：——

  日期：——
• Synthesis of Conformationally Constrained Diaminodicarboxylic Acid Derivatives
  作者：Robin A. Weatherhead、Michael D. Carducci、Eugene A. Mash

  DOI：10.1021/jo901892d

  日期：2009.11.20

  Functionally protected forms of three conformationally constrained diaminodicarboxylic acids were synthesized and characterized. 2,2'-Diaminospiro[3.3]heptane-2,2'-dicarboxylic acid, an analogue of diaminopimelic acid, was prepared in racemic form and the structure established by X-ray crystallographic analysis of the methyl ester hydrochloride. trans-1,4-Diaminocyclohexane-1,4-dicarboxylic acid was prepared and its structure established by X-ray crystallographic analysis of the corresponding Cbz-protected ethyl ester. cis- and trans-2,6-diamino-1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxylic acids were synthesized and the structures assigned by X-ray crystallographic analysis of the corresponding Boc-protected ethyl ester and Cbz-protected ethyl ester, respectively.