| 185247-32-9

• CAS: 185247-32-9
• 化学式: C₁₂H₉MnO₃S
• 分子量: 288.206
• InChiKey: LDBGUBVYMJEPIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  (benzothiophene)tricarbonylmanganese(I) tetrafluoroborate 、 甲基锂 以 四氢呋喃 、 正己烷 为溶剂， 生成 、 、 、
  参考文献：
  名称：

  Synthesis and reactivity of the (benzothiophene)tricarbonylmanganese cation

  摘要：

  [(Benzothiophene)Mn(CO)(3)]X (X(-)=BF4- (1), ClO4- (2)) has been synthesized by treatment of benzothiophene with Mn(CO)(5)X in methylene chloride. Reaction of 1 with nucleophiles has been studied, When NaBH3CN, EtMgBr and NaP(O) (OMe)(2) were reacted with 1, C7 and C4 additions were obtained in the ratio of 1:1-3:1. When PhMgBr, MeLi, LiCH2CN and LiCH(2)CO(2)(t)Bu were added to 1, C7 and C4 adducts were obtained as major products in the ratio of 1:1-2:1 and C5 and C6 adducts were obtained as minor products. The molecular structures of the hydride adduct 3A (monoclinic; space group P2(1)/n; cell parameters a=7.203(4), b=12.953(4), c=12.301(3) Angstrom, beta=106.03(2)degrees; Z=4; R=6.31, wR(2)=16.48%) and the phenyl adduct 5A (monoclinic; space group P2(1)/n; cell parameters a=7.925(7),b=16.390(3), c=11.865(2) Angstrom, beta=92.81(3); Z=4; R=5.36%, wR(2)=14.19%) have been determined.

  DOI：

  10.1016/s0020-1693(96)05107-9