1-isocyanocyclopentanol acetate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-isocyanocyclopentanol acetate
• 英文别名: α-Acetyloxy-isocyanid；(1-Isocyanocyclopentyl) acetate
• 化学式: C₈H₁₁NO₂
• 分子量: 153.181
• InChiKey: BWWRUDZLNOCXFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-isocyanocyclopentanol acetate 在 Mo(O)(S₂CNEt₂)2 硫化丙烯 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 以89%的产率得到1-isothiocyanatocyclopentanol acetate
  参考文献：
  名称：

  Direct Synthesis of Isothiocyanates from Isonitriles by Molybdenum-Catalyzed Sulfur Transfer with Elemental Sulfur

  摘要：

  The direct molybdenum-catalyzed sulfuration of a variety of isonitriles with elemental sulfur or propene sulfide as sulfur donors affords the corresponding isothiocyanates in good yields and under mild reaction conditions. A catalytic cycle is suggested, in which the molybdenum oxo disulfur complex operates as the active sulfur-transferring species. A novel adduct between the isonitrile and the molybdenum complex has been characterized by X-ray analysis and its association constant determined by UV-vis spectroscopy, but this adduct appears not to be involved in the sulfur-transfer process.

  DOI：

  10.1021/jo026042i
• 作为产物：
  描述：

  氰化银 、 乙酰氯 、 环戊酮 生成 1-isocyanocyclopentanol acetate
  参考文献：
  名称：

  Hoefle,G., Angewandte Chemie, 1974, vol. 86, p. 679 - 680

  摘要：

  DOI：

文献信息

• Hoefle,G., Angewandte Chemie, 1974, vol. 86, p. 679 - 680
  作者：Hoefle,G.

  DOI：——

  日期：——
• Direct Synthesis of Isothiocyanates from Isonitriles by Molybdenum-Catalyzed Sulfur Transfer with Elemental Sulfur
  作者：Waldemar Adam、Rainer M. Bargon、Sara G. Bosio、Wolfdieter A. Schenk、Dietmar Stalke

  DOI：10.1021/jo026042i

  日期：2002.10.1

  The direct molybdenum-catalyzed sulfuration of a variety of isonitriles with elemental sulfur or propene sulfide as sulfur donors affords the corresponding isothiocyanates in good yields and under mild reaction conditions. A catalytic cycle is suggested, in which the molybdenum oxo disulfur complex operates as the active sulfur-transferring species. A novel adduct between the isonitrile and the molybdenum complex has been characterized by X-ray analysis and its association constant determined by UV-vis spectroscopy, but this adduct appears not to be involved in the sulfur-transfer process.