| 147142-13-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 147142-13-0
• 化学式: C₉H₂₂NPPdS₂
• 分子量: 345.806
• InChiKey: GHEAFVKYHUDPJH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.29
• 重原子数：
  14.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  、 丙烯腈 以 四氢呋喃 为溶剂， 以86%的产率得到(dimethyldithiocarbamato)(1-cyanoethyl)(triethylphosphine)palladium(II)
  参考文献：
  名称：

  Alkene and alkyne insertion reactions with the unstable palladium hydride complex (Me2NCS2)Pd(PEt3)H and carbon monoxide insertion reactions with (Me2NCS2)Pd(PEt3)(alkyl) complexes

  摘要：

  The unstable complex (Me2NCS2)Pd(PEt3)H is prepared in situ at low temperature by the reaction of (Me2NCS2)Pd(PEt3)Cl and LiHBEt3. The reaction of (Me2NCS2)Pd(PEt3)H with CH2=CHCN at low temperature gives (Me2NCS2)Pd(PEt3)(CH(CN)CH3). The hydride reacts with CH3O2CC=CCO2CH3 to produce both the Z and E isomers of (Me2NCS2)Pd(PEt3)-[(CH3O2C)C=C(CO2CH3)H] in a 4:1 ratio. A similar reaction with the unsymmetrical alkyne CH3O2CC=CCH3 yields all four possible insertion products. The insertion reaction with HC=CCH2CH2CH3 yields (Me2NCS2)Pd(PEt3)[(CH3CH2CH2)C=CH2] and (Me2NCS2)-Pd(PEt3)[(E)-(H)C=C(H)CH2CH2CH3] in a 4:1 ratio. The complexes (Me2NCS2)Pd(PEt3)R (R = methyl, n-propyl, isopropyl) react with carbon monoxide to yield the respective acyl complexes, (Me2NCS2)Pd(PEt3)COR. The isopropyl acyl complex will not decarbonylate or isomerize to the n-propyl derivative when heated in solution at 75-degrees-C. (Me2NCS2)Pd(PEt3)COCH3 reacts with CH3O2CC=CCO2CH3 to yield (Me2NCS2)Pd(PEt3)[(CH3O2C)C=C(COCH3)CO2CH3].

  DOI：

  10.1021/om00026a043
• 作为产物：
  描述：

  chloro(dimethyldithiocarbamato)(triethylphosphine)palladium(II) 、 三乙基硼氢化锂 以 氘代甲苯 为溶剂， 生成
  参考文献：
  名称：

  Alkene and alkyne insertion reactions with the unstable palladium hydride complex (Me2NCS2)Pd(PEt3)H and carbon monoxide insertion reactions with (Me2NCS2)Pd(PEt3)(alkyl) complexes

  摘要：

  The unstable complex (Me2NCS2)Pd(PEt3)H is prepared in situ at low temperature by the reaction of (Me2NCS2)Pd(PEt3)Cl and LiHBEt3. The reaction of (Me2NCS2)Pd(PEt3)H with CH2=CHCN at low temperature gives (Me2NCS2)Pd(PEt3)(CH(CN)CH3). The hydride reacts with CH3O2CC=CCO2CH3 to produce both the Z and E isomers of (Me2NCS2)Pd(PEt3)-[(CH3O2C)C=C(CO2CH3)H] in a 4:1 ratio. A similar reaction with the unsymmetrical alkyne CH3O2CC=CCH3 yields all four possible insertion products. The insertion reaction with HC=CCH2CH2CH3 yields (Me2NCS2)Pd(PEt3)[(CH3CH2CH2)C=CH2] and (Me2NCS2)-Pd(PEt3)[(E)-(H)C=C(H)CH2CH2CH3] in a 4:1 ratio. The complexes (Me2NCS2)Pd(PEt3)R (R = methyl, n-propyl, isopropyl) react with carbon monoxide to yield the respective acyl complexes, (Me2NCS2)Pd(PEt3)COR. The isopropyl acyl complex will not decarbonylate or isomerize to the n-propyl derivative when heated in solution at 75-degrees-C. (Me2NCS2)Pd(PEt3)COCH3 reacts with CH3O2CC=CCO2CH3 to yield (Me2NCS2)Pd(PEt3)[(CH3O2C)C=C(COCH3)CO2CH3].

  DOI：

  10.1021/om00026a043