N-butyl-n-octyl carbamate | 1071-67-6

• 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: N-butyl-n-octyl carbamate
• 英文别名: N-Butyl-carbamidsaeure-octylester；Octyl butylcarbamate；octyl N-butylcarbamate
• CAS: 1071-67-6
• 化学式: C₁₃H₂₇NO₂
• 分子量: 229.363
• InChiKey: HXLACWYNPKKIMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  16
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  n-Octyl vinyl carbonate 、 正丁胺 在 molecular sieve 作用下， 以 异丙醚 为溶剂， 反应 3.0h， 以70%的产率得到N-butyl-n-octyl carbamate
  参考文献：
  名称：

  Vinyl carbonates as novel alkoxycarbonylation reagents in enzymatic synthesis of carbonates.

  摘要：

  Carbonates could be obtained by enzymatic alkoxycarbonylation from vinyl carbonates, which are easily prepared from vinyl chloroformate. The reaction was catalyzed by Candida antarctica lipases, SP 435 and SP 435 A. The method could be also used for the synthesis of carbamates. When racemic alcohols were used, lipase catalyzed their resolution, and chiral carbonates were obtained with different enantiomeric excesses depending upon the structure of the alcohol.

  DOI：

  10.1016/s0040-4020(01)88237-5

文献信息

• US4386033A
  申请人：——

  公开号：US4386033A

  公开（公告）日：1983-05-31
• US7605134B2
  申请人：——

  公开号：US7605134B2

  公开（公告）日：2009-10-20
• US7732416B2
  申请人：——

  公开号：US7732416B2

  公开（公告）日：2010-06-08
• Vinyl carbonates as novel alkoxycarbonylation reagents in enzymatic synthesis of carbonates.
  作者：Marcos Pozo、Rosalino Pulido、Vicente Gotor

  DOI：10.1016/s0040-4020(01)88237-5

  日期：1992.1

  Carbonates could be obtained by enzymatic alkoxycarbonylation from vinyl carbonates, which are easily prepared from vinyl chloroformate. The reaction was catalyzed by Candida antarctica lipases, SP 435 and SP 435 A. The method could be also used for the synthesis of carbamates. When racemic alcohols were used, lipase catalyzed their resolution, and chiral carbonates were obtained with different enantiomeric excesses depending upon the structure of the alcohol.