环丙烷-D6 | 2207-64-9

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 中文名称: 环丙烷-D6
• 英文名称: cyclopropane-d6
• 英文别名: Cyclopropan-d(6)；Hexadeuterio-cyclopropan；d6-Cyclopropan；Cyclopropane-D6；1,1,2,2,3,3-hexadeuteriocyclopropane
• CAS: 2207-64-9
• 化学式: C₃H₆
• 分子量: 48.033
• InChiKey: LVZWSLJZHVFIQJ-NMFSSPJFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  环丙烷-D6 在 N,2,2,2-tetradeuterioacetonitrilium 作用下， 生成 2,2,2-trideuterio-1-trideuteriomethyl-ethylium
  参考文献：
  名称：

  C3H6异构体的质子化：同位素交换和异构化

  摘要：

  DOI：

  10.1021/j100211a042
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 magnesium oxide 、 potassium bromide 、 锌 作用下， 生成 环丙烷-D6
  参考文献：
  名称：

  Vibrational Spectra and Structure of Cyclopropane and Cyclopropane‐d₆

  摘要：

  Cyclopropane-d6 has been synthesized from deuterium oxide and magnesium tricarbide in steps giving successively methyl acetylene-d4, propylene-d6, allyl chloride-d5, 3-bromo-1-chloropropane-d6, and cyclopropane-d6. Infrared spectra of cyclopropane and cyclopropane-d6 have been obtained in the spectral region 350 to 3700 cm—1 for the vapor and 650 to 3700 cm—1 for the liquid. Raman spectra, including semi-quantitative depolarization factors, have been determined for the liquid state. The spectroscopic results satisfy the Teller-Redlich product rule for a molecule of D3h symmetry. All active fundamentals in cyclopropane-d6 but one have been directly observed. The inactive fundamentals in both molecules have been located provisionally from overtone assignments. An attempt to determine the molecular geometry from rotational contours of the infrared bands was not successful, but high-resolution work on cyclopropane-d6 shows that the C–C distance is 1.524±0.014 A.

  DOI：

  10.1063/1.1742402

文献信息

• Inter- and Intramolecular Experimental and Calculated Equilibrium Isotope Effects for (silox)₂(^tBu₃SiND)TiR + RH (silox = ^tBu₃SiO):  Inferred Kinetic Isotope Effects for RH/D Addition to Transient (silox)₂TiNSi^tBu₃
  作者：LeGrande M. Slaughter、Peter T. Wolczanski、Thomas R. Klinckman、Thomas R. Cundari

  DOI：10.1021/ja000112q

  日期：2000.8.23

  This article discusses inter- and intramolecular experimental and calculated equilibrium isotope effects.

  本文讨论了分子间和分子内实验和计算的平衡同位素效应。
• Siedle; Newmark; Brown-Wensley, Organometallics, 1988, vol. 7, # 9, p. 2078 - 2079
  作者：Siedle、Newmark、Brown-Wensley、Skarjune、Haddad、Hodgson、Roe

  DOI：——

  日期：——
• Electrolysis of potassium butyrate in acetonitrile. A deuterium NMR study
  作者：Eliane Laurent、Marc Thomalla、Bernard Marquet、Ulrich Burger

  DOI：10.1021/jo01309a025

  日期：1980.10
• Photolysis and radiolysis of cyclopentane in the liquid phase
  作者：P. Ausloos、S. G. Lias、R. E. Rebbert

  DOI：10.1021/j150616a006

  日期：1981.8
• Kline, Ellen S.; Hauge, Robert H.; Kafafi, Zakya H., Organometallics, 1988, vol. 7, # 7, p. 1512 - 1516
  作者：Kline, Ellen S.、Hauge, Robert H.、Kafafi, Zakya H.、Margrave, John L.

  DOI：——

  日期：——