(1S,4R)-7,7-dimethyl-2-phenylbicyclo[2.2.1]hept-2-ene-1-carbonyl isocyanate | 186183-48-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (1S,4R)-7,7-dimethyl-2-phenylbicyclo[2.2.1]hept-2-ene-1-carbonyl isocyanate
• CAS: 186183-48-2
• 化学式: C₁₇H₁₇NO₂
• 分子量: 267.327
• InChiKey: LULQHLRTBOIAIA-DYVFJYSZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  46.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (1S,4R)-7,7-dimethyl-2-phenylbicyclo[2.2.1]hept-2-ene-1-carbonyl isocyanate 、 仲丁醇 以 various solvent(s) 为溶剂， 生成 butan-2-yl N-[(1S,4R)-7,7-dimethyl-2-phenylbicyclo[2.2.1]hept-2-ene-1-carbonyl]carbamate
  参考文献：
  名称：

  Homochiral Activated Isocyanates as Chiral Derivatizing Agents

  摘要：

  The preparation of several homochiral camphor-based isocyanates, activated by either an alpha-acyl or sulfonyl group, is described. These reactive species present themselves as chiral derivatizing agents (CDA's) with promise.

  DOI：

  10.1080/00397919608004785
• 作为产物：
  描述：

  ketopinic acid chloride 在 ammonium hydroxide 、 对甲苯磺酸 作用下， 以 乙醚 、 二氯甲烷 、 甲苯 为溶剂， 反应 29.58h， 生成 (1S,4R)-7,7-dimethyl-2-phenylbicyclo[2.2.1]hept-2-ene-1-carbonyl isocyanate
  参考文献：
  名称：

  Homochiral Activated Isocyanates as Chiral Derivatizing Agents

  摘要：

  The preparation of several homochiral camphor-based isocyanates, activated by either an alpha-acyl or sulfonyl group, is described. These reactive species present themselves as chiral derivatizing agents (CDA's) with promise.

  DOI：

  10.1080/00397919608004785

文献信息

• Homochiral Activated Isocyanates as Chiral Derivatizing Agents
  作者：Richard Donovan、Greg Roos

  DOI：10.1080/00397919608004785

  日期：1996.12

  The preparation of several homochiral camphor-based isocyanates, activated by either an alpha-acyl or sulfonyl group, is described. These reactive species present themselves as chiral derivatizing agents (CDA's) with promise.