[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: [(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate
• 化学式: C₁₃H₂₅NO₂
• 分子量: 227.347
• InChiKey: JQFDIOKZPWALRI-UTUOFQBUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  十二羰基三钌 、 [(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate 以 二氯甲烷 、 环己烷 为溶剂， 以31%的产率得到(μ2-H)Ru3(CO)9{μ3-η2-(1S,2R,5R)NCH2CH3COOC6H9CH(CH3)2CH3}
  参考文献：
  名称：

  Fixierung von Carbamaten, Hydraziden, Guanidinen und Isoharnstoffen an dreikernigen Rutheniumclustern. Molekülstruktur von (μ2-H)Ru3(CO)9- [μ3-η2-(1R,2S,5R)NEtCOOC16H23]

  摘要：

  Carbamates, hydrazides, guanidines und isoureae can be coordinated to the trinuclear metal framework by thermal reaction of Ru3(CO)12. While a hydrogen atom is transferred as mu-2-hydride to the ruthenium skeleton, the organic fragment binds as a tripodal handle to the three ruthenium atoms. The molecular structure of the 8-phenylmenthyl carbamato derivative (mu-2-H)Ru3(CO)9[mu-3-eta-2-(1R,2S,5R)-NEtCOOC16H23] shows an approximately isosceles Ru3 triangle with an almost symmetrically bonded hydride bridge. The Ru-Ru edge carrying the mu-2-H ligand is also bridged by the carbamato nitrogen atom, while the carbamato oxygen atom is bonded to the unbridged ruthenium atom.

  DOI：

  10.1016/0022-328x(91)86231-e

文献信息

• Fixierung von Carbamaten, Hydraziden, Guanidinen und Isoharnstoffen an dreikernigen Rutheniumclustern. Molekülstruktur von (μ2-H)Ru3(CO)9- [μ3-η2-(1R,2S,5R)NEtCOOC16H23]
  作者：Thomas Jenke、Helen Stoeckli-Evans、Ulf Bodensieck、Georg Süss-Fink

  DOI：10.1016/0022-328x(91)86231-e

  日期：1991.1

  Carbamates, hydrazides, guanidines und isoureae can be coordinated to the trinuclear metal framework by thermal reaction of Ru3(CO)12. While a hydrogen atom is transferred as mu-2-hydride to the ruthenium skeleton, the organic fragment binds as a tripodal handle to the three ruthenium atoms. The molecular structure of the 8-phenylmenthyl carbamato derivative (mu-2-H)Ru3(CO)9[mu-3-eta-2-(1R,2S,5R)-NEtCOOC16H23] shows an approximately isosceles Ru3 triangle with an almost symmetrically bonded hydride bridge. The Ru-Ru edge carrying the mu-2-H ligand is also bridged by the carbamato nitrogen atom, while the carbamato oxygen atom is bonded to the unbridged ruthenium atom.