cyclopentadienyl(trimethyl phosphite)(Cl)(η4-CH2CDCHCH2)molybdenum | 155890-60-1

• 英文名称: cyclopentadienyl(trimethyl phosphite)(Cl)(η4-CH2CDCHCH2)molybdenum
• CAS: 155890-60-1
• 化学式: C₁₂H₂₀ClMoO₃P
• 分子量: 375.648
• InChiKey: QDCIXLKVHULIGS-AFPZVRRWSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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

• 作为产物：
  描述：

  cyclopentadienylbis(trimethyl phosphite)(cyclopropylcarbyne-d1)molybdenum 在 aq. HCl 作用下， 以 乙醚 为溶剂， 以15%的产率得到cyclopentadienyl(trimethyl phosphite)(Cl)(η4-CH2CDCHCH2)molybdenum
  参考文献：
  名称：

  Formation of 1,3-Diene Complexes upon Protonation of Cyclopropylcarbyne Complexes

  摘要：

  Addition of HCl to the cyclopropylcarbyne complexes Cp[P(OMe)3]2Mo=C(CRCH2CH2 [R = H, D, Me (1, 1-d, 3)] results in formation of the diene complexes Cp[P(OMe)3](CI)Mo(eta4-CH2=CRCH=CH2) [R = H, D, Me (5, 5-d, 6a, 6b)]. The metal hydride Cp[P(OMe)3]2Cl2-Mo(H) (4) is the major product formed in the reaction of HCI with 1 and 1-d, though none is formed upon reaction with 3. Reaction of 1 with HBF4.Et2O results in formation of the hydrido carbyne complex [Cp(H){P(OMe)3}2Mo=C(C-C3H5)]+BF4- (7) which eventually rearranges to the diene complex [Cp{P(OMe)3}2Mo(eta4-CH2=CHCH=CCH2)]+BF4- (8). The diene complex Cp[P(OMe)3](Cl)MO(eta4-CH2=CMeCH=CH2) (6b) has been isolated and a crystal structure obtained: P2(1)/n, a = 9.876(2) angstrom, b = 12.157(3) angstrom, c = 13.372(2) angstrom, beta = 91.62(2)-degrees, V = 1604.9(6) angstrom3; Z = 4; R = 3.77%; R(w) = 4.60% for 2162 reflections F > 4.0sigma(F).

  DOI：

  10.1021/om00017a021