Pivaloyl chloride-d₉ | 42983-08-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: Pivaloyl chloride-d₉
• 英文别名: Tri-<²H3>-methyl-acetylchlorid；3,3,3-trideuterio-2,2-bis-trideuteriomethyl-propionyl chloride；2,2-Di(methyl-d3)propanoyl-3,3,3-d3 chloride；3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propanoyl chloride
• CAS: 42983-08-4
• 化学式: C₅H₉ClO
• 分子量: 129.507
• InChiKey: JVSFQJZRHXAUGT-GQALSZNTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Pivaloyl chloride-d₉ 在 氨 作用下， 以 乙醚 为溶剂， 生成 2,2-dimethylpropanamide-d₉
  参考文献：
  名称：

  1191.伯胺与卤化硼的反应。第一部分：烷基胺：硼唑和硼唑嗪的制备

  摘要：

  DOI：

  10.1039/jr9650006421
• 作为产物：
  描述：

  三甲基乙酸-D9 在 草酰氯 作用下， 生成 Pivaloyl chloride-d₉
  参考文献：
  名称：

  Effect of Ligand Deuteration on the Decay of Eu³⁺(⁵D₀) in Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)europium(III)

  摘要：

  Contributions to the first-order rate constant for the decay of the Eu3+(D-5(0)) state of tris(2,2,6,6-tetramethyl-3,5-heptanedionato)europium(III), Eu(thd)(3), from radiative and multiphonon mechanisms are evaluated independently by measuring the luminescence decay rates in undeuterated Eu(thd)(3), fully deuterated Eu(thd-d(19))(3), and alpha-deuterated Eu(thd-d(1))(3), which is also designated Eu(alpha-D,thd)(3). In the latter case, deuterium substitution is at the alpha-carbon, between the carbonyl groups of the beta-diketonate ligand. These measurements yield a multiphonon contribution of 332 s(-1), of which 157 s(-1) is attributed to relaxation via the C-alpha-H stretching vibration and 175 s(-1) to relaxation via the C-H stretching modes of the tert-butyl groups. By use of the measured total Eu3+(D-5(0)) relaxation rate constant and the multiphonon rate constants given above, the Eu3+(D-5(0)) radiative relaxation rate constant is inferred to be 1930 s(-1). It is suggested that this unusually high radiative rate constant may be due to an increased allowedness in the D-5(0) --> F-7(J) transitions due to contributions to the predominantly 4f crystal-field wave functions from a low-lying ligand-to-metal charge-transfer state.

  DOI：

  10.1021/jp982180t

文献信息

• Paulsen,H. et al., Chemische Berichte, 1975, vol. 108, p. 3190 - 3200
  作者：Paulsen,H. et al.

  DOI：——

  日期：——
• US5786218A
  申请人：——

  公开号：US5786218A

  公开（公告）日：1998-07-28