Pentandioic acid, (p-t-butylphenyl) ester | 212762-88-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: Pentandioic acid, (p-t-butylphenyl) ester
• 英文别名: 5-(4-tert-butylphenoxy)-5-oxopentanoic acid
• CAS: 212762-88-4
• 化学式: C₁₅H₂₀O₄
• 分子量: 264.321
• InChiKey: CBNDHYKMKSQAQY-UHFFFAOYSA-N

物化性质

• 沸点：
  416.1±38.0 °C(Predicted)
• 密度：
  1.111±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Pentandioic acid, (p-t-butylphenyl) ester 在 硼烷 作用下， 以 四氢呋喃 为溶剂， 以89%的产率得到5-Hydroxy-pentanoic acid 4-tert-butyl-phenyl ester
  参考文献：
  名称：

  Heilmann, Jens; Maier, Wilhelm F., Zeitschrift fur Naturforschung, B: Chemical Sciences, 1995, vol. 50, # 3, p. 460 - 468

  摘要：

  DOI：
• 作为产物：
  描述：

  戊二酸 、 4-叔丁基苯酚 在 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 Pentandioic acid, (p-t-butylphenyl) ester
  参考文献：
  名称：

  Attachment of 1,5,9-Triazacyclododecane and β-Cyclodextrin to Poly(ethylenimine) in Proximity by Site-Directed Functionalization

  摘要：

  A novel methodology for the site-directed introduction of a functional group in the vicinity of beta-cyclodextrin (CD) on the backbone of branched poly(ethylenimine) (PEI) is developed. Site-directed or random attachment of 1,5,9-triazacyclododecane (TC) to CD-containing PEI followed by acetylation of the primary and secondary amines of the polymer backbone produced [TC-CD](AcPEI)-Ac-SD or [TC-CD](Ran) AcPEI, respectively. By the addition of Ni(II), Cu(II), or Zn(II) ion, [M(II)TC-CD](SD) AcPEI or [M(II)TC-CD](AcPEI)-Ac-Ran was obtained. The formation constant for the complexation of a hydrophobic ester revealed that the TC portion was indeed positioned in the vicinity of the CD cavity in [M(II)TC-CD](SD) AcPEI. Compared with [M(II)TC-CD](Ran) AcPEI, [M(II)TC-CD]SDAcPEI appears to exert an extra stabilization effect (-Delta Delta G degrees = 1.0-1.3 kcal/mol) on the complexed ester by hydrogen bonding between the metal-bound water of the polymer and the carbonyl group of the ester. (C) 1998 Academic Press.

  DOI：

  10.1006/bioo.1998.1088

文献信息

• Heilmann, Jens; Maier, Wilhelm F., Zeitschrift fur Naturforschung, B: Chemical Sciences, 1995, vol. 50, # 3, p. 460 - 468
  作者：Heilmann, Jens、Maier, Wilhelm F.

  DOI：——

  日期：——
• Attachment of 1,5,9-Triazacyclododecane and β-Cyclodextrin to Poly(ethylenimine) in Proximity by Site-Directed Functionalization
  作者：Sung Min Kim、In Seok Hong、Junghun Suh

  DOI：10.1006/bioo.1998.1088

  日期：1998.6

  A novel methodology for the site-directed introduction of a functional group in the vicinity of beta-cyclodextrin (CD) on the backbone of branched poly(ethylenimine) (PEI) is developed. Site-directed or random attachment of 1,5,9-triazacyclododecane (TC) to CD-containing PEI followed by acetylation of the primary and secondary amines of the polymer backbone produced [TC-CD](AcPEI)-Ac-SD or [TC-CD](Ran) AcPEI, respectively. By the addition of Ni(II), Cu(II), or Zn(II) ion, [M(II)TC-CD](SD) AcPEI or [M(II)TC-CD](AcPEI)-Ac-Ran was obtained. The formation constant for the complexation of a hydrophobic ester revealed that the TC portion was indeed positioned in the vicinity of the CD cavity in [M(II)TC-CD](SD) AcPEI. Compared with [M(II)TC-CD](Ran) AcPEI, [M(II)TC-CD]SDAcPEI appears to exert an extra stabilization effect (-Delta Delta G degrees = 1.0-1.3 kcal/mol) on the complexed ester by hydrogen bonding between the metal-bound water of the polymer and the carbonyl group of the ester. (C) 1998 Academic Press.