CH3ReO(2-mercaptoethyl sulfide) | 519040-57-4

• 英文名称: CH3ReO(2-mercaptoethyl sulfide)
• CAS: 519040-57-4
• 化学式: C₅H₁₁OReS₃
• 分子量: 369.547
• InChiKey: BAKJMRIEXHVVNP-UHFFFAOYSA-L

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：

  CH3ReO(2-mercaptoethyl sulfide) 在 sulfoxides, pyridine N-oxides, alkyl hydroperoxide 、 s 作用下， 以 not given 为溶剂， 以0%的产率得到甲基三氧化铼(VII)
  参考文献：
  名称：

  Syntheses and Oxidation of Methyloxorhenium(V) Complexes with Tridentate Ligands

  摘要：

  Four new methyloxorhenium(V) compounds were synthesized with these tridentate chelating ligands: 2-mercaptoethyl sulfide (abbreviated HSSSH), 2-mercaptoethyl ether (HSOSH), thioldiglycolic acid (HOSOH), and 2-(salicylideneamino)-benzoic acid (HONOH). Their reactions with MeReO3 under suitable conditions led to these products: MeReO-(SSS), 1, MeReO(SOS), 2, MeReO(OSO)(PAr3), 3, and MeReO(ONO)(PPh3), 4. These compounds were characterized spectroscopically and crystallographically. Compounds 1 and 2 have a five-coordinate distorted square pyramidal geometry about rhenium, whereas 3 and 4 are six-coordinate compounds with distorted octahedral structures. The kinetics of oxidation of 2 and 3 in chloroform with pyridine N-oxides follow different patterns. The oxidation of 2 shows first-order dependences on the concentrations of 2 and the ring-substituted pyridine N-oxide. The Hammett analysis of the rate constants gives a remarkably large and negative reaction constant, rho = -4.6. The rate of oxidation of 3 does not depend on the concentration or the identity of the pyridine N-oxide, but it is directly proportional to the concentration of water, both an accidental and then a deliberate cosolvent. The mechanistic differences have been interpreted as reflecting the different steric demands of five- and six-coordinate rhenium compounds.

  DOI：

  10.1021/ic026174u
• 作为产物：
  描述：

  末端脱氧核苷酸转移酶 、 甲基三氧化铼(VII) 在 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以52%的产率得到CH3ReO(2-mercaptoethyl sulfide)
  参考文献：
  名称：

  辅助配体对高效氧Ox络合物中CO迁移插入机理的影响

  摘要：

  Several oxorhenium complexes bearing an SSS pincer ligand were isolated and characterized, and their reactivity with carbon monoxide was explored. The corresponding oxorhenium(V) acyl derivatives were also isolated and characterized. Carbonylation reactions required high pressures (400 psi) and temperatures (50 degrees C). The mechanism for carbonylation was explored with DFT (M06) calculations and revealed that the most likely mechanism for carbonylation involved stepwise formation of CO adducts followed by migration of the carbonyl ligand to the alkyl/aryl groups.

  DOI：

  10.1021/acs.organomet.6b00570