2,3-Dibromo-1-[4-[2,3-dibromo-3-(4-methoxyphenyl)propanoyl]phenyl]-3-phenylpropan-1-one | 473933-50-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2,3-Dibromo-1-[4-[2,3-dibromo-3-(4-methoxyphenyl)propanoyl]phenyl]-3-phenylpropan-1-one
• CAS: 473933-50-5
• 化学式: C₂₅H₂₀Br₄O₃
• 分子量: 688.048
• InChiKey: KNYXVJOLZWFDNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,3-Dibromo-1-[4-[2,3-dibromo-3-(4-methoxyphenyl)propanoyl]phenyl]-3-phenylpropan-1-one 在 盐酸羟胺 、 氢氧化钾 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 以32%的产率得到5-(4-Methoxyphenyl)-3-[4-(3-phenyl-1,2-oxazol-5-yl)phenyl]-1,2-oxazole
  参考文献：
  名称：

  Synthesis of New Molecules Containing Head, Spacer, and Label Moieties

  摘要：

  We describe the synthesis and characterization of novel molecules containing head with precise shape, spacer, and label moieties. The protocol is based on a Pd(0)-catalyzed cross-coupling reaction between ethynylphenyl/bromide to obtain a rigid head followed by the attachment of a flexible spacer possessing two reactive functional groups on the termini. The final step consists of forming a covalent bond between spacer and label. In addition, monosubstituted soluble labels were synthesized in good yields.

  DOI：

  10.1021/jo025691r
• 作为产物：
  描述：

  (E)-1-(4-acetylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one 在 sodium hydroxide 、 溴 作用下， 以 甲醇 、 氯仿 、 水 为溶剂， 反应 6.0h， 生成 2,3-Dibromo-1-[4-[2,3-dibromo-3-(4-methoxyphenyl)propanoyl]phenyl]-3-phenylpropan-1-one
  参考文献：
  名称：

  Synthesis of New Molecules Containing Head, Spacer, and Label Moieties

  摘要：

  We describe the synthesis and characterization of novel molecules containing head with precise shape, spacer, and label moieties. The protocol is based on a Pd(0)-catalyzed cross-coupling reaction between ethynylphenyl/bromide to obtain a rigid head followed by the attachment of a flexible spacer possessing two reactive functional groups on the termini. The final step consists of forming a covalent bond between spacer and label. In addition, monosubstituted soluble labels were synthesized in good yields.

  DOI：

  10.1021/jo025691r

文献信息

• Synthesis of New Molecules Containing Head, Spacer, and Label Moieties
  作者：Abderrahim Khatyr、Huub Maas、Gion Calzaferri

  DOI：10.1021/jo025691r

  日期：2002.9.1

  We describe the synthesis and characterization of novel molecules containing head with precise shape, spacer, and label moieties. The protocol is based on a Pd(0)-catalyzed cross-coupling reaction between ethynylphenyl/bromide to obtain a rigid head followed by the attachment of a flexible spacer possessing two reactive functional groups on the termini. The final step consists of forming a covalent bond between spacer and label. In addition, monosubstituted soluble labels were synthesized in good yields.