7-(1-methoxyethyl)-3-methoxy-3-borabicyclo[3.3.1]non-6-ene | 673488-75-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 金属杂环化合物
• 英文名称: 7-(1-methoxyethyl)-3-methoxy-3-borabicyclo[3.3.1]non-6-ene
• 英文别名: 3-Methoxy-7-(1-methoxyethyl)-3-borabicyclo[3.3.1]non-6-ene；3-methoxy-7-(1-methoxyethyl)-3-borabicyclo[3.3.1]non-6-ene
• CAS: 673488-75-0
• 化学式: C₁₂H₂₁BO₂
• 分子量: 208.109
• InChiKey: FIFCRROGUQKUAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.63
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  四氢呋喃 、 7-(1-methoxyethyl)-3-methoxy-3-borabicyclo[3.3.1]non-6-ene 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以85%的产率得到2-Methyl-1-bora-tricyclo[3.3.1.1^3,7]decane; compound with tetrahydro-furan
  参考文献：
  名称：

  The first chiral derivatives of 1-boraadamantane

  摘要：

  Both (S)-(+)- [(S)-5] and (R)-(-)-2-methyl-1-boraadamantane [(R)-5] were isolated in 96% and 92% ee, respectively, by the crystallization of corresponding (S)-(-)- and (R)-(+)-phenylethylamine adducts from hexane and transformed into optically active 1-hydroxy-2-methyladamantanes by the carbonylation-oxidation sequence.

  DOI：

  10.1070/mc2003v013n03abeh001791
• 作为产物：
  描述：

  三烯丙基硼烷 、 3-methoxybut-1-yne 以 甲醇 为溶剂， 以73%的产率得到7-(1-methoxyethyl)-3-methoxy-3-borabicyclo[3.3.1]non-6-ene
  参考文献：
  名称：

  The first chiral derivatives of 1-boraadamantane

  摘要：

  Both (S)-(+)- [(S)-5] and (R)-(-)-2-methyl-1-boraadamantane [(R)-5] were isolated in 96% and 92% ee, respectively, by the crystallization of corresponding (S)-(-)- and (R)-(+)-phenylethylamine adducts from hexane and transformed into optically active 1-hydroxy-2-methyladamantanes by the carbonylation-oxidation sequence.

  DOI：

  10.1070/mc2003v013n03abeh001791

文献信息

• The first chiral derivatives of 1-boraadamantane
  作者：Mikhail E. Gurskii、Vladimir A. Ponomarev、Konstantin A. Lyssenko、Mikhail Yu. Antipin、Philippe Renaud、Yurii N. Bubnov

  DOI：10.1070/mc2003v013n03abeh001791

  日期：2003.1

  Both (S)-(+)- [(S)-5] and (R)-(-)-2-methyl-1-boraadamantane [(R)-5] were isolated in 96% and 92% ee, respectively, by the crystallization of corresponding (S)-(-)- and (R)-(+)-phenylethylamine adducts from hexane and transformed into optically active 1-hydroxy-2-methyladamantanes by the carbonylation-oxidation sequence.