2-methyl-7-bromo-2-(2-tetrahydropyranyloxy)hept-3-yne | 213040-29-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-methyl-7-bromo-2-(2-tetrahydropyranyloxy)hept-3-yne
• CAS: 213040-29-0
• 化学式: C₁₃H₂₁BrO₂
• 分子量: 289.213
• InChiKey: UZEUAXVGYBKDDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.49
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-methyl-7-bromo-2-(2-tetrahydropyranyloxy)hept-3-yne 在 对甲苯磺酸 甲醇 、 六甲基磷酰三胺 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of variously substituted allenediynes and their cobalt (I)-mediated [2+2+2] cycloaddition reactions

  摘要：

  Syntheses of variously substituted allenediynes where the allene moiety is at the terminal or internal position are described. Their cobalt(I)-mediated [2+2+2] cycloaddition reactions led to the corresponding eta(4)-complexed tricyclic compounds; the regioselectivity of these cyclizations depending on the substitution and the position of the allene is discussed. (C) 1998 Elsevier Science Ltd. Ali rights reserved.

  DOI：

  10.1016/s0040-4020(98)00567-5
• 作为产物：
  描述：

  Methanesulfonic acid 6-methyl-6-(tetrahydro-pyran-2-yloxy)-hept-4-ynyl ester 在 lithium bromide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以100%的产率得到2-methyl-7-bromo-2-(2-tetrahydropyranyloxy)hept-3-yne
  参考文献：
  名称：

  Synthesis of variously substituted allenediynes and their cobalt (I)-mediated [2+2+2] cycloaddition reactions

  摘要：

  Syntheses of variously substituted allenediynes where the allene moiety is at the terminal or internal position are described. Their cobalt(I)-mediated [2+2+2] cycloaddition reactions led to the corresponding eta(4)-complexed tricyclic compounds; the regioselectivity of these cyclizations depending on the substitution and the position of the allene is discussed. (C) 1998 Elsevier Science Ltd. Ali rights reserved.

  DOI：

  10.1016/s0040-4020(98)00567-5