di-t-butyl 4-acetyl-1,7-heptanedioate | 586958-93-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: di-t-butyl 4-acetyl-1,7-heptanedioate
• 英文别名: Heptanedioic acid, 4-acetyl-, bis(1,1-dimethylethyl) ester；ditert-butyl 4-acetylheptanedioate
• CAS: 586958-93-2
• 化学式: C₁₇H₃₀O₅
• 分子量: 314.422
• InChiKey: IPSBBMQFCPQQRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  di-t-butyl 4-acetyl-1,7-heptanedioate 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 0.33h， 以85%的产率得到di-t-butyl 4-(1-hydroxyethyl)-1,7-heptanedioate
  参考文献：
  名称：

  Synthesis and Characterization of Polyester Dendrimers from Acetoacetate and Acrylate

  摘要：

  New aliphatic polyester-type dendrimers were synthesized using a new AB(2)-type building block 3, prepared from benzyl acetoacetate and 2 equiv of tert-butyl acrylate by acelloacetic acid ester synthesis. The reiterative [deprotection by HCO2H, then EDCI/DMAP coupling] sequence using divergent growth method gave [G1]-4tBu-[G5]-64tBu dendrimers. C-13 NMR relaxation time (T-1) measurements on the carboxy carbons show that the extended chain conformations are predominant in CDCl3.

  DOI：

  10.1021/ol0482184
• 作为产物：
  描述：

  di-t-butyl 4-acetyl-4-benzyloxycarbonyl-1,7-heptanedioate 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 3.5h， 生成 di-t-butyl 4-acetyl-1,7-heptanedioate
  参考文献：
  名称：

  Synthesis and Characterization of Polyester Dendrimers from Acetoacetate and Acrylate

  摘要：

  New aliphatic polyester-type dendrimers were synthesized using a new AB(2)-type building block 3, prepared from benzyl acetoacetate and 2 equiv of tert-butyl acrylate by acelloacetic acid ester synthesis. The reiterative [deprotection by HCO2H, then EDCI/DMAP coupling] sequence using divergent growth method gave [G1]-4tBu-[G5]-64tBu dendrimers. C-13 NMR relaxation time (T-1) measurements on the carboxy carbons show that the extended chain conformations are predominant in CDCl3.

  DOI：

  10.1021/ol0482184

文献信息

• Synthesis and Characterization of Polyester Dendrimers from Acetoacetate and Acrylate
  作者：Yuuki Hirayama、Taisuke Nakamura、Satoshi Uehara、Yohko Sakamoto、Kentaro Yamaguchi、Yoshihisa Sei、Michiko Iwamura

  DOI：10.1021/ol0482184

  日期：2005.2.1

  New aliphatic polyester-type dendrimers were synthesized using a new AB(2)-type building block 3, prepared from benzyl acetoacetate and 2 equiv of tert-butyl acrylate by acelloacetic acid ester synthesis. The reiterative [deprotection by HCO2H, then EDCI/DMAP coupling] sequence using divergent growth method gave [G1]-4tBu-[G5]-64tBu dendrimers. C-13 NMR relaxation time (T-1) measurements on the carboxy carbons show that the extended chain conformations are predominant in CDCl3.