[(η(5)-2-methylthiophene)Mn(CO)3](BF4) | 106864-54-4

• 英文名称: [(η(5)-2-methylthiophene)Mn(CO)3](BF4)
• 英文别名: [(2-methylthiophene)Mn(CO)3]BF4
• CAS: 106864-54-4
• 化学式: BF₄*C₈H₆MnO₃S
• 分子量: 323.942
• InChiKey: YXPNHGGZYMRFFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  [(η(5)-2-methylthiophene)Mn(CO)3](BF4) 、 苯基溴化镁 以 四氢呋喃 为溶剂， 以45%的产率得到(S-Ph-η(4)-2-Me-SC4H3)Mn(CO)3
  参考文献：
  名称：

  Models for the Homogeneous Hydrodesulfurization of Thiophenes:  Manganese-Mediated Carbon−Sulfur Bond Cleavage and Hydrogenation Reactions

  摘要：

  Chemical reduction of a series of (eta(5)-thiophene)Mn(CO)(3)(+) complexes (3a-d) under an atmosphere of CO affords dimanganese metallathiacyclic complexes (4a-d), which have a Mn(CO)(4) moiety regioselectively inserted into a C-S bond. Reaction of 4 with H-2, the rate of which is strongly influenced by substituents on the thiophene ring, leads to hydrogenolysis of the Mn-C sigma-bond and formation of (OC)(3)Mn(mu-H)(mu-SCRCHCHCHR')Mn(CO)(3) (8; R, R' = H, Me), which contains bridging hydride and thiolate ligands and a Mn-Mn bond. The addition of PhMgBr to 3 occurs at the sulfur to give zwitterionic complexes (6a-c, 14), which undergo regioselective hydrogenolysis of a C-S bond and, in some cases, partial desulfurization with concomitant formation of (OC)(4)Mn(mu-H)(mu-SPh)Mn(CO)(4) (5a). Crystal structures are reported for complexes 4b,d, 5a, 8d, 10, 12c, and 14b,c. It is suggested that the reactions reported herein may be relevant to the general problem of hydrodesulfurization (HDS) of thiophenic molecules.

  DOI：

  10.1021/om970822d
• 作为产物：
  描述：

  、 trityl tetrafluoroborate 以 二氯甲烷 为溶剂， 以86%的产率得到[(η(5)-2-methylthiophene)Mn(CO)3](BF4)
  参考文献：
  名称：

  Huckett, Sara C.; Sauer, Nancy N.; Angelici, Robert J., Organometallics, 1987, vol. 6, # 3, p. 591 - 596

  摘要：

  DOI：

文献信息

• Manganese Thiophene Tricarbonyl Complexes:  Nucleophilic Addition to Sulfur and Synthesis of Thiophenium Salts
  作者：Su Seong Lee、Tae-Young Lee、Dae Seung Choi、Jun Sik Lee、Young Keun Chung、Soon W. Lee、Myoung Soo Lah

  DOI：10.1021/om970031b

  日期：1997.4.1

  with respect to Grignard reagent addition, the known compounds [(thiophene)Mn(CO)3]+ (thiophene = thiophene, 2-methylthiophene, 2,5-dimethylthiophene) have been synthesized and their reaction with Grignard reagents studied. In all cases, S-R-thiophene manganese carbonyls 3 were obtained as a sole product. Refluxing 3 (R = Ph, p-tolyl, 2-thienyl) with Me3NO in benzene yielded diaryl sulfide. Treatment

  新的噻吩锰衍生物[[2-R 1 -C 4 H 3 S）Mn（CO）3 ] + 1（sil）（R 1 = Si（OCH 2 CH 2）3 N）和1（Mn）（R 1 =（C 6 H 6）Mn（CO）3），已经合成并研究了它们与亲核试剂的反应。除格氏试剂，亲核试剂（如新- = H - ，- CN，- P（O）（OR）2（R = Me，Ph））通常攻击C5位置。格氏试剂攻击硫原子，生成锰S -R-噻吩羰基3。为了比较格氏试剂添加1（sil）和1（Mn）与（噻吩）Mn（CO）3 +的反应性，已知化合物[（噻吩）Mn（CO）3 ] +（噻吩=合成了噻吩，2-甲基噻吩，2,5-二甲基噻吩，并研究了它们与格氏试剂的反应。在所有情况下，均以单一产物形式获得S -R-噻吩羰基锰3。助焊剂3（R = Ph，p-甲苯基，2-噻吩基）与Me 3 NO在苯中的反应生成二芳基硫醚。在CH 2 Cl 2中用NOBF 4处