1,1,1,2,2,3,3-Heptafluor-pentan | 754-68-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: 1,1,1,2,2,3,3-Heptafluor-pentan
• 英文别名: 1,1,1,2,2,3,3-Heptafluoropentane
• CAS: 754-68-7
• 化学式: C₅H₅F₇
• 分子量: 198.084
• InChiKey: YLXMZWSVIPOWNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  0.0
• 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：
  7

反应信息

• 作为产物：
  描述：

  1H,1H,2H-七氟-1-戊烯 在 palladium/alumina 氢气 作用下， 以63%的产率得到1,1,1,2,2,3,3-Heptafluor-pentan
  参考文献：
  名称：

  碳氢化合物在氢氟烃中的溶解度估算

  摘要：

  已经开发出用于氢氟碳化合物（HFC）的新溶解度参数SP（SP = 1.175 ln（np）+ 0.025 H -0.063 F -0.028α-0.018β，其中np取决于摩尔体积和摩尔折射率；H和F分别是分子中氢和氟的数目；而α和β分别是HCF和HCCF连接的数目。SP的价值HFC已被用来预测HFC在25°C下对于各种碳氢化合物是否是良好的溶剂。在异构HFC族中，对烃具有最大溶解能力的单个HFC是那些氟与氢的分离度最大的HFC。将希尔德布兰德溶解度参数δ与半经验SP值进行比较。

  DOI：

  10.1016/0022-1139(93)02960-m

文献信息

• THE GAS PHASE REACTIONS OF PERFLUORO-<i>n</i>-PROPYL RADICALS WITH METHANE AND ETHANE
  作者：G. Giacometti、E. W. R. Steacie

  DOI：10.1139/v58-220

  日期：1958.11.1

  The rate constants and activation energies for the reactions of C3F7 radicals with methane and ethane have been measured by photolyzing mixtures of C3F7COC3F7 and hydrocarbon with 3130 A light. Photolysis of mixtures of the ketone, methane, and deuterium has been used to check previous measurements on the reaction of C3F7 and deuterium.

  C3F7 自由基与甲烷和乙烷反应的速率常数和活化能是通过用 3130 A 光光解 C3F7COC3F7 和碳氢化合物的混合物来测量的。酮、甲烷和氘混合物的光解已用于检查先前对 C3F7 和氘反应的测量。
• Perfluoroalkylation of Coordinated Ethene in Rh(I) and Ir(I) Complexes. Catalytic Addition of Iodoperfluoroalkanes to Ethene
  作者：María Blaya、Delia Bautista、Juan Gil-Rubio、José Vicente

  DOI：10.1021/acs.organomet.6b00929

  日期：2017.4.10

  The complexes [M(eta(5)-CP*)(eta(2)-C2H4)(2)] (M = Rh, Ir) react with iodoperfluoroalkanes to give [M(eta(5)-Cp*)(CH2CH2RF)(mu-I)](2) (main product) and (CH2CH2RF)(mu-I)(2)M(eta(5)-Cp*)I] (RF = t-C4F9, M = Ir; R-F = c-C6F11, M = Ir, Rh). Similarly, the complexes [M(eta(5)-Cp*)(eta(2)-C2H4)(PPh3)] react with iodoperfluoroalkanes to give [M(eta(5)-Cp*)(CH2CH2RF)I(PPh3)] (M = Ir, R-F = t-C4F9, i-C3F7; M = Rh, R-F = t-C4F9). Evidence for the generation of the heptafluoroisopropyl carbanion in the reaction of [Ir(eta(5)-Cp*)(eta(2)-C2H4)(PPh3)] with I-i-C3F7 was obtained, which suggests that the reaction is initiated by the transfer of two electrons from the Ir(I) complex to the iodoperfluoroalkane. The iodo-bridged complexes react with PPh3 to give [M(eta(5)-Cp*)(CH2CH2RF)I(PPh3)] (M = Ir, R-F = t-C4F9; c-C6F11; M = Rh, R-F = c-C6F11). The complexes [Ir(eta(5)-Cp*)(CH2CH2RF)I(PPh3)] (RF = c-C6F11, i-C3F7) react with AgOTf to give [Ir(eta(5)-Cp*)H(eta(2)-CH2=CHRF)(PPh3)]OTf. The analogous reaction of [Ir(eta(5)-Cp*)(CH2CH2-t-C4F9)I(PPh3)] gives CH3CH2-t-C4F9 and [Ir(eta(5)-Cp*)(eta(2)-o-C6H4PPh2)]OTf, which reacts with PPh3 to give [Ir(eta(5)-Cp*)(eta(2)-o-C6H4PPh2)(PPh3)]OTf. This cyclometalated complex and its analogue [Ir(eta(5)-Cp*)(eta(2)-o-C6H4PPh2)(P(p-Tol)(3))]OTf are also prepared by the reaction of [Ir(eta(5)-Cp*)(Me)Cl(PPh3)] with AgOTf and PPh3 or P(p-Tol)(3). The derivatives [Ir(eta(5)-Cp*)(CH2CH2RF)(PPh3)L]OTf (L = CO, R-F = c-C6F11; i-C3F7; L = PPh3, R-F = i-C3F7) are isolated in the reactions of the Ir hydrido alkene complexes with CO or PPh3.The reactions of [Rh(eta(5)-Cp*)(CH2CH2RF)I(PR3)] (R = Me, R-F = i-C3F7, n-C4F9, t-C4F9; R = Ph, RF = i-C3F7, t-C4F9, c-C6F11) with AgOTf afford unstable triflato complexes that decompose to give CH2=CHRF, but in the presence of PR3 the complexes [Rh(eta(5)-Cp*)(CH2CH2RF)(PR3)(2)]OTf (R = Ph, R-F = i-C3F7; t-C4F9, c-C6F11; R = Me, R-F = i-C3F7, t-C4F9) were formed. When R = Ph, these complexes are unstable and decompose quantitatively to give [Rh(eta(5)-Cp*)H(PPh3)(2)]OTf and CH2=CHRF. Complexes of the type [M(eta(5)-Cp*)(eta(2)-C2H4)(2)] (M = Rh, Ir) and [Rh(eta(5)-Cp*)(CH2CH2RF)I(L)] are initiators for the radical addition of IRF to ethene.
• Estimation of hydrocarbon solubilities in hydrofluorocarbons
  作者：Michael Van Der Puy、Andrew J. Poss、Phillip J. Persichini、Lois A.S. Ellis

  DOI：10.1016/0022-1139(93)02960-m

  日期：1994.6

  A new solubility parameter, SP, for hydrofluorocarbons (HFCs) has been developed (SP=1.175 ln(np)+ 0.025H-0.063F-0.028α-0.018β where np depends on the molar volume and the molar refractivity; H and F are the number of hydrogens and fluorines, respectively, in the molecule; and α and β are the respective numbers of H-C-F and H-C-C-F connections). Values of SP have been used to predict if an HFC would

  已经开发出用于氢氟碳化合物（HFC）的新溶解度参数SP（SP = 1.175 ln（np）+ 0.025 H -0.063 F -0.028α-0.018β，其中np取决于摩尔体积和摩尔折射率；H和F分别是分子中氢和氟的数目；而α和β分别是HCF和HCCF连接的数目。SP的价值HFC已被用来预测HFC在25°C下对于各种碳氢化合物是否是良好的溶剂。在异构HFC族中，对烃具有最大溶解能力的单个HFC是那些氟与氢的分离度最大的HFC。将希尔德布兰德溶解度参数δ与半经验SP值进行比较。