(Z)-3-(Dodecyloxycarbonylmethyl-carbamoyl)-acrylic acid undecyl ester | 603110-18-5

• 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: (Z)-3-(Dodecyloxycarbonylmethyl-carbamoyl)-acrylic acid undecyl ester
• CAS: 603110-18-5
• 化学式: C₂₉H₅₃NO₅
• 分子量: 495.744
• InChiKey: ZYIYJNKYOUNRAE-FCQUAONHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  35.0
• 可旋转键数：
  25.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  81.7
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (Z)-3-(Dodecyloxycarbonylmethyl-carbamoyl)-acrylic acid undecyl ester 在 potassium permanganate 、 DH-18-C-6 、 sodium sulfate 、 硫酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  l-Serine and glycine based ceramide analogues as transdermal permeation enhancers: polar head size and hydrogen bonding

  摘要：

  Novel transdermal permeation enhancers related to stratum corneum ceramides were investigated. The synthesis of a series of simple compounds based on two selected amino acids, L-serine and glycine, and their enhancement activities are reported. Glycine derivative 3 enhanced the permeation of theophylline through human skin in vitro 12.5 +/- 0.5 times. The relationships between properties of the polar head of the compounds and their activity are discussed. (C) 2003 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0960-894x(03)00409-8
• 作为产物：
  描述：

  十二烷醇 在 盐酸 、 TEA 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 生成 (Z)-3-(Dodecyloxycarbonylmethyl-carbamoyl)-acrylic acid undecyl ester
  参考文献：
  名称：

  l-Serine and glycine based ceramide analogues as transdermal permeation enhancers: polar head size and hydrogen bonding

  摘要：

  Novel transdermal permeation enhancers related to stratum corneum ceramides were investigated. The synthesis of a series of simple compounds based on two selected amino acids, L-serine and glycine, and their enhancement activities are reported. Glycine derivative 3 enhanced the permeation of theophylline through human skin in vitro 12.5 +/- 0.5 times. The relationships between properties of the polar head of the compounds and their activity are discussed. (C) 2003 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0960-894x(03)00409-8