1,3,5-tris(perfluoroisobutyloyloxy)adamantane | 872205-46-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1,3,5-tris(perfluoroisobutyloyloxy)adamantane
• 英文别名: [3,5-Bis[[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoyl]oxy]-1-adamantyl] 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
• CAS: 872205-46-4
• 化学式: C₂₂H₁₃F₂₁O₆
• 分子量: 772.308
• InChiKey: MZSKSIHOLXWHLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  49
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  27

文献信息

• Fluorinated adamantane and its derivatives
  申请人：Okazoe Takashi

  公开号：US20050288528A1

  公开（公告）日：2005-12-29

  The present invention provides a process A 1 for producing a compound (5A), which comprises fluorinating a compound (3A-1) by liquid phase fluorination to a compound (4A-1), followed by a decomposition reaction of an ester bond; a process A 2 for producing a compound (5A), which comprises fluorinating a compound (3A-2) by liquid phase fluorination to a compound (4A-2), followed by a decomposition reaction of an ester bond; and a process B for producing a compound (5B), which comprises fluorinating a compound (3B) by liquid phase fluorination to a compound (4B), followed by hydrolysis or alcoholysis. Further, the present invention provides a compound (5A) wherein n is 2 to 4, and a compound (5B) wherein n is 3 or 4. A(-CH 2 —OCO—R) n (3A-1) A f (-CF 2 —OCO—R f ) n (4A-1) A(-COOR) n (3A-2) A f (-COOR f ) n (4A-2) A f (-COF) n (5A) A(-OCO—R) n (3B) A f (-OCO—R f ) n (4B) A f (-OH) n (5B) provided that the carbon atom in adamantane to which —OCO—R f is bonded, is a tertiary carbon atom, A is a n-valent group having n hydrogen atoms in adamantane converted to connecting bonds, R is a fluorinated monovalent organic group, n is an integer of from 1 to 4, A f is a group having at least one of hydrogen atoms in the group A substituted by a fluorine atom, and R f is a fluorinated monovalent organic group.

  本发明提供了一种制备化合物（5A）的A1过程，其中包括通过液相氟化将化合物（3A-1）氟化为化合物（4A-1），然后进行酯键的分解反应；一种制备化合物（5A）的A2过程，其中包括通过液相氟化将化合物（3A-2）氟化为化合物（4A-2），然后进行酯键的分解反应；以及一种制备化合物（5B）的B过程，其中包括通过液相氟化将化合物（3B）氟化为化合物（4B），然后进行水解或醇解。此外，本发明还提供了一种化合物（5A），其中n为2至4，以及一种化合物（5B），其中n为3或4。其中，若将—OCO—Rf连接到金刚烷中的碳原子，则该碳原子为三级碳原子，A为具有n个氢原子的n价基团，这些氢原子在金刚烷中被转化为连接键，R为氟化的一价有机基团，n为1至4的整数，Af为至少有一个氢原子被氟原子取代的基团A，Rf为氟化的一价有机基团。
• FLUOROADAMANTANE DERIVATIVE
  申请人：WANG Shu-zhong

  公开号：US20070129566A1

  公开（公告）日：2007-06-07

  Adamantane derivates which can be material compounds of a polymer excellent in etching resistance and having improved transmittance to light having a short wavelength, are produced by an economically advantageous process from readily available materials. A compound (10) is subjected to esterification reaction with a compound (11) to obtain a compound (12), which is subjected to fluorination in a liquid phase to obtain a compound (13), which is then subjected to hydrolysis or alcoholysis to obtain a compound (2), which is then reacted with a compound (15) thereby to obtain a compound (1). Here, A to J are —CFH— or —CF 2 —; RF is a perfluoroalkyl group or the like; X 10 is F or the like; Y 2 is H or OH; Y 3 is H or R F COO—; Y 4 is H, F or R F COO—; Y 5 is H, F, R F COO— or OH; Y 0 is H, F, —OCOCR 1 ═CH 2 or OH: R 1 is a hydrogen atom, a methyl group or the like; and X 11 is OH or a halogen atom:

  通过一种经济优势的过程，从易得材料中制备出具有优异蚀刻抗性和改善短波长光透射性的聚合物材料化合物的金刚烷衍生物。将化合物（10）与化合物（11）进行酯化反应，得到化合物（12），然后在液相中对化合物（12）进行氟化反应，得到化合物（13），然后对化合物（13）进行水解或醇解，得到化合物（2），然后将化合物（2）与化合物（15）反应，从而得到化合物（1）。其中，A至J为—CFH—或—CF2—；RF为全氟烷基或类似物；X10为F或类似物；Y2为H或OH；Y3为H或RFCOO—；Y4为H、F或RFCOO—；Y5为H、F、RFCOO—或OH；Y0为H、F、—OCOCR1═CH2或OH；R1为氢原子、甲基基团或类似物；X11为OH或卤素原子。
• US7402714B2
  申请人：——

  公开号：US7402714B2

  公开（公告）日：2008-07-22
• US7488847B2
  申请人：——

  公开号：US7488847B2

  公开（公告）日：2009-02-10
• US7511177B2
  申请人：——

  公开号：US7511177B2

  公开（公告）日：2009-03-31