1-氯-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-十七氟辛烷 | 307-33-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 中文名称: 1-氯-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-十七氟辛烷
• 中文别名: 4-(二甲氨基)-1,5-二甲基-2-苯基-1,2-二氢-3H-吡唑-3-酮-5,5-二(丙-2-烯-1-基)嘧啶-2,4,6(1H,3H,5H)-三酮(1:1)
• 英文名称: 1-Chloroperfluorooctane
• 英文别名: chloroperfluorooctane；F-octyl chloride；1-chloro-1H-heptadecafluoro-octane；1-chloro-heptadecafluoro-octane；1-Chlor-heptadecafluor-octan；perfluorooctyl chloride；1-Chloroheptadecafluorooctane；1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
• CAS: 307-33-5
• 化学式: C₈ClF₁₇
• 分子量: 454.514
• InChiKey: SYVYTZLRTMPUCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  26
• 可旋转键数：
  6
• 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：
  17

安全信息

• 海关编码：
  2903799090

反应信息

• 作为反应物：
  描述：

  1-氯-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-十七氟辛烷 在 五氟化锑 作用下， 生成 全氟辛烷
  参考文献：
  名称：

  Fluorinated organic compounds

  摘要：

  公开号：

  US02490764A1
• 作为产物：
  描述：

  全氟壬酸 在 氢氧化钾 、 氯 作用下， 以 水 、 乙腈 为溶剂， 以83%的产率得到1-氯-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-十七氟辛烷
  参考文献：
  名称：

  Electrochemical synthesis of perfluoroalkylchlorides

  摘要：

  Electrooxidation of perfluorocarboxylic acids in the presence of Cl2 yields perfluoroalkylchlorides R(F)Cl. It is suggested that anodic oxidation of perfluorocarboxylate ions is the determining electrochemical stage in this electrochemical version of the Borodin-Hundsdikker reaction.

  DOI：

  10.1007/bf00961499

文献信息

• NANOEMULSIONS AND USE THEREOF AS CONTRAST AGENTS
  申请人：GUERBET

  公开号：US20140234223A1

  公开（公告）日：2014-08-21

  The invention relates to an oil-in-water nanoemulsion for MRI, including: an aqueous phase, a fluorinated phase including at least one fluorinated oil, a surfactant at the interface between the aqueous and fluorinated phases, the surfactant comprising: at least one amphiphilic targeting ligand, at least one amphiphilic lipid, and at least one diblock or triblock fluorophilic compound, as well as to the use thereof as a contrast agent.

  这项发明涉及一种用于磁共振成像的油包水纳米乳液，包括： 水相， 含有至少一种氟化油的氟化相， 位于水相和氟化相之间的表面活性剂，所述表面活性剂包括： 至少一种两性靶向配体， 至少一种两性脂质，以及 至少一种二嵌段或三嵌段亲氟化合物， 以及将其用作对比剂的用途。
• Practical and efficient synthesis of perfluoroalkyl iodides from perfluoroalkyl chlorides via modified sulfinatodehalogenation
  作者：Hai-Ping Cao、Qing-Yun Chen

  DOI：10.1016/j.jfluchem.2007.04.018

  日期：2007.10

  A novel two-step one pot synthesis of perfluoroalkyl iodides (α,ω-diiodoperfluoroalkanes) from perfluoroalkyl chlorides (α-chloro-ω-iodoperfluoroalkanes) has been developed by initial conversion to the corresponding sodium perfluoroalkanesulfinates with sodium dithionite and then subsequent oxidation by iodine.

  通过先用连二亚硫酸钠转化为相应的全氟烷磺酸亚磺酸钠，然后再用碘氧化，开发了一种新颖的两步一锅合成法，由全氟烷基氯化物（α-氯-ω-碘全氟烷烃）合成全氟烷基碘（α，ω-二碘全氟烷烃）。 。
• Chlorotrifluoroethylene-derived fluids. I. Model compound synthesis
  作者：K.J.L. Paciorek、R.H. Kratzer、J.H. Nakahara、W.-H. Lin、K.K. Johri

  DOI：10.1016/s0022-1139(00)82355-6

  日期：1991.12

  A series of chlorofluoroalkanes having chlorines on adjacent carbon atoms has been prepared, i.e. n-C5F11CFClCCl3, n-C6F13CFClCCl3, n-C5F11CFClCFCl2, n-C6F13CFClCFCl2, n-C5F11CFClCF2Cl, n-C2F5CFClCFClC3F7 and n-CF3CFClCFClC4F9, by a combination of halogen exchange, dehalogenation and chlorine addition reactions. An attempt to synthesize n-C6F13CFClCF2CFCl2 by the coupling of n-C6F13CFClI with an excess

  制备了一系列在相邻碳原子上具有氯的氯氟烷烃，即nC 5 F 11 CFClCCl 3，nC 6 F 13 CFClCCl 3，nC 5 F 11 CFClCFCl 2，nC 6 F 13 CFClCFCl 2，nC 5 F 11 CFClCF 2 Cl ，nC 2 F 5 CFClCFClC 3 F 7和n-CF 3 CFClCFClC 4 F 9通过卤素交换，脱卤和氯加成反应的组合。在存在汞的情况下，通过在紫外线辐射下将nC 6 F 13 CFClI与过量的ICF 2 CFCl 2偶联来合成nC 6 F 13 CFClCF 2 CFCl 2的尝试，仅给出了nC 6 F 13 CFClCFClCC 6 F 13和CFCl的合成。2 CF 2 CF 2 CFCl 2。在nC 6 F 13 CFClI和CF 2的平行条件下以48％的产率获得ClCFClI，n-C 6 F 13 CFClCFClCF
• Nickel(0)-Catalyzed Fluoroalkylation of Alkenes, Alkynes, and Aromatics with Perfluoroalkyl Chlorides
  作者：Xiao-Ting Huang、Qing-Yun Chen

  DOI：10.1021/jo010178j

  日期：2001.6.1

  Treatment of perfluoroalkyl chlorides (R(F)Cl) with alkenes, alkynes, or aromatics in the presence of 0.1 equiv of nickel dichloride, 1.5 equiv of zinc powder, and 0.4 equiv of triphenylphosphine in DMF at 95-100 degrees C for 6-8 h give the corresponding perfluoroalkylated products in good yields. A single electron-transfer mechanism is suggested.

  在95至100摄氏度的DMF中，在0.1当量的二氯化镍，1.5当量的锌粉和0.4当量的三苯膦存在下，用烯烃，炔烃或芳烃处理全氟烷基氯化物（R（F）Cl），在6-100 8小时以良好的产率得到相应的全氟烷基化产物。提出了单电子转移机理。
• Method for producing coupling compound
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20040161404A1

  公开（公告）日：2004-08-19

  There are disclosed a method for producing a cross-coupling compound of formula (3): (Y—) (n−1) R 1 —R 2 —(R 1 ) (n′−1) (3) wherein R 1 represents a substituted or unsubstituted, linear, branched, or cyclic hydrocarbon group, and n and n′ each represent 1 or 2, provided that when n and n′ are the same, both n and n′ are not 2, R 2 represents a substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl or substituted or unsubstituted alkenyl group, and Y represents R 2 or X 1 , wherein R 2 is as defined above, and X 1 represents a chlorine, bromine or iodine atom, which method comprises reacting an organic halide of formula (1): n′(R 1 X l n ), wherein R 1 is as defined above and carbon atoms at the &agr; and &bgr; positions relative to X 1 are sp 3 carbon atoms, and X 1 , n and n′ are as defined above, with a boron compound of formula (2): m{R 2 (BX 2 2 ) n′ }, wherein R 2 and n′ are as defined above, X 2 independently represents a hydroxyl group or an alkoxy or aryloxy group, or X 2 2 together form an alkoxy or aryloxy group, and m represents 1 or 2, and m≧n, and the boron atom is bonded with a sp 2 carbon atom of R 2 group, or a boronic acid trimer anhydride thereof, in the presence of a base and a catalyst comprising a nickel compound and a compound of formula (i): 1 wherein R 3 represents a substituted or unsubstituted alkyl group, R 4 represents a hydrogen atom or an substituted or unsubstituted alkyl group, l represents an integer of 1 to 3, and p and q each represents an integer of 0 to 2; and a catalyst.

  本发明公开了一种制备交叉偶联化合物的方法，该化合物的化学式为（3）：（Y-）（n-1）R1-R2-（R1）（n' -1）（3），其中R1代表取代或未取代的线性、支链或环烃基，n和n'各自代表1或2，但当n和n'相同时，n和n'均不为2；R2代表取代或未取代的芳基、取代或未取代的杂环基或取代或未取代的烯基，Y代表R2或X1，其中R2如上所定义，X1代表氯、溴或碘原子。该方法包括将化学式为（1）的有机卤化物与化学式为（2）的硼化合物在碱和催化剂的存在下反应，其中化学式（1）中R1如上所定义，X1、n和n'如上所定义，α和β位置相对于X1的碳原子为sp3碳原子，化学式（2）中R2和n'如上所定义，X2独立代表羟基或烷氧基或芳氧基，或X22共同形成烷氧基或芳氧基，m代表1或2，m≤n，硼原子与R2基的sp2碳原子或其硼酸三聚体酐键合。催化剂包括一种镍化合物和一种化学式为（i）的化合物：1其中R3代表取代或未取代的烷基，R4代表氢原子或取代或未取代的烷基，l代表1至3的整数，p和q分别代表0至2的整数。