5-iodocyclopentadiene | 36664-93-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机碘化物
• 英文名称: 5-iodocyclopentadiene
• 英文别名: cyclopentadienyl iodide；iodocyclopentadiene；5-Iodcyclopentadien；Cyclopentadienyliodid；5-Jod-cyclopentadien；5-iodocyclopenta-1,3-diene
• CAS: 36664-93-4
• 化学式: C₅H₅I
• 分子量: 191.999
• InChiKey: CFLVILAXMASXPM-UHFFFAOYSA-N

物化性质

• 沸点：
  150.4±29.0 °C(Predicted)
• 密度：
  1.93±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 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：

  5-iodocyclopentadiene 在 氘代三氟乙酸 、 重水 、 双(三甲基硅烷基)氨基钾 作用下， 生成 5-deuterio-5-iodocyclopentadiene
  参考文献：
  名称：

  Breslow, Ronald; Canary, James W., Journal of the American Chemical Society, 1991, vol. 113, # 10, p. 3950 - 3951

  摘要：

  DOI：
• 作为产物：
  描述：

  四(二甲氨基)锆 生成 5-iodocyclopentadiene
  参考文献：
  名称：

  METAL OXIDE THIN FILM PRECURSOR, METHOD OF FABRICATING METAL THIN FILM USING THE SAME, AND SEMICONDUCTOR DEVICE INCLUDING THE METAL OXIDE THIN FILM

  摘要：

  Disclosed are a metal oxide thin film precursor represented by Chemical Formula 1, a method of fabricating a metal oxide thin film using the same, and a semiconductor device including the metal oxide thin film. The definition of Chemical Formula 1 is as described in the detailed description.

  公开号：

  US20240239817A1

文献信息

• Kinetics of the cyclopentadiene decay and the recombination of cyclopentadienyl radicals with H-atoms: Enthalpy of formation of the cyclopentadienyl radical
  作者：K. Roy、M. Braun-Unkhoff、P. Frank、Th. Just

  DOI：10.1002/kin.10005

  日期：2001.12

  The recombination of c-C5H5 with H-atoms has been studied behind reflected shock waves. The obtained rate coefficients are almost independent of temperature and were found to be krec = 2.6 × 1014 cm3 mol−1 s−1 for pressures around 2 bar in the temperature range between 1150 and 1500 K. Together with rate coefficients for the dissociation, obtained in an earlier work (Roy et al., Proc Combust Inst 1998

  已经在反射冲击波后面研究了 c-C5H5 与 H 原子的复合。得到的速率系数几乎与温度无关，在 1150 到 1500 K 的温度范围内，压力约为 2 bar 时，krec = 2.6 × 1014 cm3 mol-1 s-1。连同解离的速率系数，得到在较早的工作（Roy 等人，Proc Combust Inst 1998, 27, 329–336）中，在接近当前工作中应用的压力和温度下，我们计算了 C5H6 ⇌ c- + H 的平衡常数 Kc(T) . 进行了“第三定律”分析。分别得出环戊二烯基 DHf,0 = 65.4 ± 1 kcal mol-1 和 DHf,298 = 62.5 ± 1 kcal mol-1 的形成焓数据。该分析基于最近由 Kiefer 等人计算的环戊二烯基熵的新结果。（J phy chem，出版中）。最后，我们的测量数据进行了衰减分析。模拟结果非常令人满意。©
• Conway, Brian G.; Rausch, Marvin D., Organometallics, 1985, vol. 4, # 4, p. 688 - 693
  作者：Conway, Brian G.、Rausch, Marvin D.

  DOI：——

  日期：——
• Facial Selectivity in the Diels−Alder Reactions of 5-Chloro-, 5-Bromo-, and 5-Iodo-1,3-cyclopentadiene and Derivatives
  作者：Mark A. Wellman、Lori C. Burry、Johnathon E. Letourneau、John N. Bridson、David O. Miller、D. Jean Burnell

  DOI：10.1021/jo961710j

  日期：1997.2.1

  A variety of dienophiles was used to assess the facial selectivity of Diels-Alder reactions in a series of 1,3-cyclopentadiene derivatives (1-3, 6-10) in which chlorine, bromine, and iodine were plane-nonsymmetric atoms pitted against hydrogen or methyl at C-5. The results were rationalized in terms of the major factor controlling the facial selectivity being related to steric hindrance between the diene and the dienophile. Selectivity did not correlate with reactivity. Facial selectivity in the reactions with 4-phenyl-1,2,4-triazoline-3,5-dione as the dienophile was also influenced by a second significant factor, postulated to be filled-orbital repulsion with the halogen substituent.
• Cyclopentadienyl-bis(oxazoline) Magnesium and Zirconium Complexes in Aminoalkene Hydroaminations
  作者：Naresh Eedugurala、Megan Hovey、Hung-An Ho、Barun Jana、Nicole L. Lampland、Arkady Ellern、Aaron D. Sadow

  DOI：10.1021/acs.organomet.5b00771

  日期：2015.12.14

  A new class of cyclopentadiene-bis(oxazoline) compounds and their piano-stool-type organometallic complexes have been prepared as catalysts for hydroamination of aminoalkenes. The two compounds MeC(Ox(Me2))(2)C5H5 (Bo(M)CpH; Ox(Me2) = 4,4-dimethyl-2-oxazoline) and MeC-(Ox(Me2))(2)C5Me4H (Bo(M)Cp(tet)H ) are synthesized from C5R4HI (R = H, Me) and MeC(Ox(Me2))(2)Li. These cyclopentadiene-bis(oxazolines) are converted into ligands that support a variety of metal centers in piano-stool-type geometries, and here we report the preparation of Mg, Tl, Ti, and Zr compounds. Bo(M)CpH and Bo(M)Cp(tet)H react with MgMe2(O2C4H2)(2) to give the magnesium methyl complexes Bo(M)Cp}MgMe and Bo(M)Cp(tet)}MgMe. Bo(M)CpH and Bo(M)Cp(tet)H are converted to Bo(M)CpTl and Bo(M)Cp(tet)Tl by reaction with TIOEt. The thallium derivatives react with TiCl3(THF)(3) to provide [Bo(M)Cp}TiCl(mu-Cl)](2) and [Bo(M)Cp(tet)}TiCl(mu-Cl)](2), the former of which is crystallographically characterized as a dimeric species. Bo(M)CpH and Zr(NMe2)(4) react to eliminate dimethylamine and afford Bo(M)Cp}Zr(NMe2)(3), which is crystallographically characterized as a monomeric four-legged piano-stool compound. Bo(M)Cp}Zr(NMe2)(3), Bo(M)Cp}MgMe, and Bo(M)Cp(tet)}MgMe are efficient catalysts for the hydroamination/cyclization of aminoalkenes under mild conditions.
• Antiaromaticity in the parent cyclopentadienyl cation. Reaction of 5-iodocyclopentadiene with silver ion
  作者：Ronald Breslow、Jacob M. Hoffman

  DOI：10.1021/ja00761a051

  日期：1972.3