Z-3-ethoxycarbonyl-2-methylallyltriphenylphosphonium bromide | 33398-37-7

• 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: Z-3-ethoxycarbonyl-2-methylallyltriphenylphosphonium bromide
• 英文别名: 2-Methyl-3-ethoxycarbonyl-2-propenyltriphenylphosphonium Bromide；[(Z)-4-ethoxy-2-methyl-4-oxobut-2-enyl]-triphenylphosphanium;bromide
• CAS: 33398-37-7
• 化学式: Br*C₂₅H₂₆O₂P
• 分子量: 469.358
• InChiKey: YTCUHHGAWIKMBX-WQGAEACMSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.49
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2.4-dimethyl-3-formyl-4-ethoxycarbonylcyclohex-2-enone 、 Z-3-ethoxycarbonyl-2-methylallyltriphenylphosphonium bromide 在 methyloxirane 作用下， 生成 (2Z)-C15-retinoid 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Zhidkova, T. A.; Bekker, A. R.; Vakulova, L. A., Russian Journal of Organic Chemistry, 1984, vol. 20, # 8, p. 1528 - 1532

  摘要：

  DOI：
• 作为产物：
  描述：

  3-甲酰基-2-丁烯酸乙酯 在 吡啶 、 sodium tetrahydroborate 、 三溴化磷 作用下， 以 乙醚 、 乙醇 、 正己烷 为溶剂， -30.0 ℃ 、1.33 MPa 条件下， 反应 2.75h， 生成 Z-3-ethoxycarbonyl-2-methylallyltriphenylphosphonium bromide
  参考文献：
  名称：

  Zhidkova, T. A.; Stashina, G. A.; Bekker, A. R., Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, p. 2328 - 2333

  摘要：

  DOI：

文献信息

• Multifunctional Cyclopentadienes as a Scaffold for Combinatorial Bioorganometallics in [(η ⁵ ‐C ₅ H ₂ R ₁ R ₂ R ₃ )M(CO) ₃ ] (M=Re, ^99m Tc) Piano‐Stool Complexes
  作者：Angelo Frei、Bernhard Spingler、Roger Alberto

  DOI：10.1002/chem.201801271

  日期：2018.7.17

  AbstractMultifunctional cyclopentadiene (Cp) ligands and their rhenium and 99mTc complexes were prepared by a versatile synthetic route. The properties of these Cp ligands can be tuned on demand, either during their synthesis (variation of R1) or through post‐synthetic functionalization with two equal or different vectors (V1 and V2). Variation of these groups enables a combinatorial approach in the synthesis of bioorganometallic complexes. This is demonstrated by the preparation of Cp ligands containing both electron‐donating and electron‐withdrawing groups at the R1 position and their subsequent homo‐ or heterofunctionalization with biovector models (benzylamine and phenylalanine) under standard amide bond‐formation conditions. All ligands can be coordinated to the fac‐[Re(CO)3]+ and fac‐[99mTc(CO)3]+ cores to give tetrafunctional complexes in straightforward and functional‐group‐tolerant procedures. The 99mTc complexes were prepared in one step, in 30 min, and under aqueous conditions from generator‐eluted [99mTcO4]−.