butyldi-tert-butylphosphine oxide | 18351-76-3

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机膦及其衍生物
• 英文名称: butyldi-tert-butylphosphine oxide
• 英文别名: n-butyl di-t-butyl phosphine oxide；n-Butyl-di-tert.-butyl-phosphinoxid；1-Ditert-butylphosphorylbutane
• CAS: 18351-76-3
• 化学式: C₁₂H₂₇OP
• 分子量: 218.32
• InChiKey: IWHJLKCSKICKDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  以75%的产率得到butyldi-tert-butylphosphine oxide
  参考文献：
  名称：

  Kolodyazhnyi, O. I., Journal of general chemistry of the USSR, 1982, vol. 52, # 5, p. 946 - 951

  摘要：

  DOI：

文献信息

• Structural effects in reactions of organophosphorus compounds. II. Reaction of Grignard reagents with phosphonic dichlorides
  作者：Alfred D. Brown、Gennady M. Kosolapoff

  DOI：10.1039/j39680000839

  日期：——

  It has been shown that the reaction of Grignard reagents containing tertiary aliphatic radicals with phosphonic dichlorides may yield as many as four products, depending on the nature of the reactants. Some of these products are described for the first time.

  已经表明，取决于反应物的性质，含有叔脂族基团的格氏试剂与二氯化膦的反应可产生多达四种产物。其中一些产品是首次描述。
• Relationship between Chemical Structure and Supramolecular Effective Molarity for Formation of Intramolecular H-Bonds
  作者：Hongmei Sun、Christopher A. Hunter、Cristina Navarro、Simon Turega

  DOI：10.1021/ja406235d

  日期：2013.9.4

  Effective molarity (EM) is a key parameter that determines the efficiency of a range of supramolecular phenomena from the folding of macromolecules to multivalent ligand binding. Coordination complexes formed between zinc porphyrins equipped H-bond donor sites and pyridine ligands equipped with H-bond acceptor sites have allowed systematic quantification of EM values for the formation of intramolecular H-bonds in 240 different systems. The results provide insights into the relationship of EM to supramolecular architecture, H-bond strength, and solvent. Previous studies on ligands equipped with phosphonate diester and ether H-bond acceptors were inconclusive, but the experiments described here on ligands equipped with phosphine oxide, amide, and ester H-bond acceptors resolve these ambiguities. Chemical double-mutant cycles were used to dissect the thermodynamic contributions of individual H-bond interactions to the overall stabilities of the complexes and hence determine the values of EM, which fall in the range 1-1000 mM. Solvent has little effect on EM, and the values measured in toluene and 1,1,2,2-tetrachloroethane are similar. For H-bond acceptors that have similar geometries but different H-bond strengths (amide and ester), the values of EM are very similar. For H-bond acceptors that have different geometries but similar H-bond strengths (amide and phosphonate diester), there is, little correlation between the values of EM. These results imply that supramolecular EMs are independent of solvent and intrinsic H-bond strength but depend on supramolecular architecture and geometric complementarity.