Methyl 3,5-bis(2-cyanoethoxy)benzoate | 210355-15-0

• 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: Methyl 3,5-bis(2-cyanoethoxy)benzoate
• CAS: 210355-15-0
• 化学式: C₁₄H₁₄N₂O₄
• 分子量: 274.276
• InChiKey: MOFSGAODJLVUKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  92.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Methyl 3,5-bis(2-cyanoethoxy)benzoate 在 platinum(IV) oxide 盐酸 、 氢氧化钾 、 氢气 、 三乙胺 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 38.0h， 生成 N-[3-[3-[3-[[[3,5-bis[3-[[hydroxy(phenylmethoxy)methylidene]amino]propoxy]phenyl]-hydroxymethylidene]amino]propoxy]-5-methoxycarbonylphenoxy]propyl]-3,5-bis[3-[[hydroxy(phenylmethoxy)methylidene]amino]propoxy]benzenecarboximidic acid
  参考文献：
  名称：

  Amino-Functionalized, Second-Generation Dendritic Building Blocks

  摘要：

  The multi-gram scale synthesis of first- and second-generation dendrons with Boc- and Cbz-protected amino groups in the periphery and methyl/ethyl esters at the focal points is described. Saponification of the esters and deprotection of the amines are shown to be strictly orthogonal processes which makes these dendrons valuable building blocks for future constructions.

  DOI：

  10.1002/(sici)1099-0690(199807)1998:7<1275::aid-ejoc1275>3.0.co;2-2
• 作为产物：
  描述：

  3,5-二羟基苯甲酸甲酯 、 丙烯腈 在 苄基三乙基氯化铵 、 sodium 作用下， 以30%的产率得到Methyl 3,5-bis(2-cyanoethoxy)benzoate
  参考文献：
  名称：

  Amino-Functionalized, Second-Generation Dendritic Building Blocks

  摘要：

  The multi-gram scale synthesis of first- and second-generation dendrons with Boc- and Cbz-protected amino groups in the periphery and methyl/ethyl esters at the focal points is described. Saponification of the esters and deprotection of the amines are shown to be strictly orthogonal processes which makes these dendrons valuable building blocks for future constructions.

  DOI：

  10.1002/(sici)1099-0690(199807)1998:7<1275::aid-ejoc1275>3.0.co;2-2

文献信息

• Amino-Functionalized, Second-Generation Dendritic Building Blocks
  作者：Rainer Klopsch、Sabine Koch、A. Dieter Schlüter

  DOI：10.1002/(sici)1099-0690(199807)1998:7<1275::aid-ejoc1275>3.0.co;2-2

  日期：1998.7

  The multi-gram scale synthesis of first- and second-generation dendrons with Boc- and Cbz-protected amino groups in the periphery and methyl/ethyl esters at the focal points is described. Saponification of the esters and deprotection of the amines are shown to be strictly orthogonal processes which makes these dendrons valuable building blocks for future constructions.

表征谱图