| 186822-93-5

• CAS: 186822-93-5
• 化学式: C₁₂H₁₄IORu*I₃
• 分子量: 782.931
• InChiKey: YRHOZEDIIBLZPR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  在 sodium tetrahydroborate 作用下， 以 乙腈 为溶剂， 生成 (+)-(R)-1-hydroxymethyl-2-methylruthenocene
  参考文献：
  名称：

  Enantiomeric haloruthenocenium salts: synthesis of the first representatives with the use of asymmetric reduction and asymmetric cyclopalladation

  摘要：

  Optically active substituted ruthenocenes, (+)-RcCH(OH)Ph (I), (-)-RcCH(Me)Ph (+) and (+)-1-hydroxymethyl-2-methylruthenocene (VIII) react with molecular iodine to yield the corresponding iodoruthenocenium salts Ia, IIa, VIIIa with I-3(-) anions. Reduction of these salts using, for example, NaBH4 regenerates the optically active starting compounds. Ruthenocenes with electron-withdrawing substituents (COMe, COPh, COOMe) remain intact when treated with I-2, Fe(III), or Ce(IV). Asymmetric cyclopalladation of RcCH(2)NMe(2) is described for the first time as the initial step of the reaction sequence leading to (+)-VIII.

  DOI：

  10.1016/s0022-328x(96)06335-8
• 作为产物：
  描述：

  (+)-(R)-1-hydroxymethyl-2-methylruthenocene 、 碘 以 四氯化碳 为溶剂， 以99%的产率得到
  参考文献：
  名称：

  Enantiomeric haloruthenocenium salts: synthesis of the first representatives with the use of asymmetric reduction and asymmetric cyclopalladation

  摘要：

  Optically active substituted ruthenocenes, (+)-RcCH(OH)Ph (I), (-)-RcCH(Me)Ph (+) and (+)-1-hydroxymethyl-2-methylruthenocene (VIII) react with molecular iodine to yield the corresponding iodoruthenocenium salts Ia, IIa, VIIIa with I-3(-) anions. Reduction of these salts using, for example, NaBH4 regenerates the optically active starting compounds. Ruthenocenes with electron-withdrawing substituents (COMe, COPh, COOMe) remain intact when treated with I-2, Fe(III), or Ce(IV). Asymmetric cyclopalladation of RcCH(2)NMe(2) is described for the first time as the initial step of the reaction sequence leading to (+)-VIII.

  DOI：

  10.1016/s0022-328x(96)06335-8