| 186534-43-0

• CAS: 186534-43-0
• 化学式: C₁₅H₉MnO₄
• 分子量: 308.172
• InChiKey: FZTZFEHCMGJIMA-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：

  [(η(6)-dibenzofuran)Mn(CO)3]BF4 、 sodium tetrahydroborate 以 四氢呋喃 为溶剂， 生成 、
  参考文献：
  名称：

  Regioselectivity in the nucleophilic functionalization of dibenzofuran, dibenzothiophene and xanthene complexes of Mn(CO)3+

  摘要：

  The cationic complexes [(eta(6)-DBF)Mn(CO)(3)]BF4, [(eta(6)-DBT)Mn(CO)(3)]BF4 and [(eta(6)-XAN)Mn(CO)(3)]PF6 (DBF = dibenzofuran, DBT = dibenzothiophene, XAN = xanthene) are prepared. These species react with carbon-based nucleophiles to form exo-substituted cyclohexadienyl complexes, Addition is found exclusively at carbons 1 and 4. The C(1)-functionalized regioisomer predominates, especially for the DBF and XAN complexes, for which 90 to > 95% selectivity is found with stabilized nucleophiles. Preference for C(1) is greatly reduced for unstabilized magnesium and lithium nucleophiles. The origin of this selectivity is discussed. Loss of the aromatic ring from the cationic complexes in the presence of CH3CN is found to be extremely facile for the DBF and DBT complexes owing to increased ease of ring slippage. Second-order rate constants for the displacement reactions with CH3CN are 4.6 +/- 0.6 x 10(-5) M(-1) s(-1) (DBF complex, 25 degrees C), 4.4 +/- 1.0 x 10(-5) M(-1) s(-1) (DBT complex, 25 degrees C) and about 1.0 x 10(-5) M(-1) s(-1) (XAN complex, 60 degrees C). A crystal structure is presented for the hydride adduct of the DBF complex, [(eta(5)-C12H9O)Mn(CO)(3)]: space group P2(1)/c, a = 15.301(2), b = 6.4422(12), c = 12.988(2) Angstrom, beta = 90.888(13)degrees, V = 1280.1(3) Angstrom(3), Z = 4, D-calc = 1.599 Mg m(-3), R = 0.0410 and wR2 = 0.0945 on 2446 reflections with F-2 > 4.0 sigma(F-2).

  DOI：

  10.1016/s0022-328x(96)06347-4