2-[3-tert-Butyl-5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenyl]-1,1,1,3,3,3-hexafluoro-propan-2-ol | 101697-32-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[3-tert-Butyl-5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenyl]-1,1,1,3,3,3-hexafluoro-propan-2-ol
• 英文别名: 2-[3-Tert-butyl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
• CAS: 101697-32-9
• 化学式: C₁₆H₁₄F₁₂O₂
• 分子量: 466.267
• InChiKey: NEIOCEZSEVZFGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  1-fluoro-1-<2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy>-10-tert-butyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda-2,8-dioxabicyclo<3.3.0>octane 在 氢氧化钾 、 硫酸 作用下， 以 氘代氯仿 、 水 、 乙腈 为溶剂， 反应 58.5h， 生成 2-[3-tert-Butyl-5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenyl]-1,1,1,3,3,3-hexafluoro-propan-2-ol
  参考文献：
  名称：

  An organic tridentate ligand stabilizing a 10-I-4 iodinane oxide and related species

  摘要：

  The tridentate ligand of iodinane 7, with electronegative apical oxygens joined by five-membered rings to an electropositive equatorial carbon, strongly stabilizes pseudo-trigonal-bipyramidal (PSI-TBP) 10-I-3 species 7, as well as 10-I-4 species such as iodinane oxide 5. Fluorination of 7 forms a pseudooctahedral (PSI-Oc) 12-I-5 periodinane, 4, which is easily hydrolyzed to 5, or reacts with Lewis acids to form 10-I-4 fluoroperiodonium cation 8. The equatorial I+-O- bond of 5 reacts with electrophiles at the oxygen [with trifluoroacetyl triflate (TFAT) to give 10-I-4 (trifluoroacetoxy)periodonium triflate 12; with triflic acid (TfOH) to form the 10-I-4 hydroxyperiodonium triflate 9; and with trifluoroacetic anhydride (TFAA) to form the 12-I-5 bis(trifluoroacetoxy)periodinane 11]. Small amounts of tetrabutylammonium hydroxide give nucleophilic addition to the iodine of 5 to form 12-I-5 intermediates (18) leading to rapid inversion of geometry at the 10-I-4 center of the iodinane oxide. Excess KOH cleaves the C-I bond of 5, forming the reduced arenediol 17. Diphenyldialkoxysulfurane 14 converts 5 to dialkoxyperiodinane 13, forming diphenyl sulfoxide. Iodine oxide 5 is a strong oxidizing agent, rapidly oxidizing HCl to Cl2, or pinacol to acetone. Oxidation of a diaryl sulfide to the sulfoxide and the sulfone occurs unselectively, but slowly, at 160-degrees-C with pure 5. With a catalytic amount of TFAA, selective oxidation of the diaryl sulfide to the sulfoxide by 5 is rapid at room temperature.

  DOI：

  10.1021/jo00023a022

文献信息

• Silicon Compound Containing Hexafluoroisopropanol Group, and Method for Producing Same
  申请人：Central Glass Company, Limited

  公开号：US20210061827A1

  公开（公告）日：2021-03-04

  Provided is a production method for producing an aromatic alkoxysilane containing a hexafluoropropanol group (—C(CF 3 ) 2 OH; referred to as HFIP group) from an inexpensive starting raw material with a high reaction conversion rate and selectivity. As shown in the following scheme, the production method includes: a first step of reacting an aromatic halosilane with hexafluoroacetone in the presence of a Lewis acid catalyst, thereby obtaining a HFIP group-containing aromatic halosilane; and a second step of forming the HFIP group-containing aromatic alkoxysilane by reacting the HFIP group-containing aromatic halosilane with an alcohol.

  提供了一种生产含有六氟丙醇基团（—C(CF3)2OH；简称HFIP基团）的芳香烷氧基硅烷的生产方法，该方法从廉价的起始原料中高反应转化率和选择性地生产。如下图所示，该生产方法包括：第一步是在Lewis酸催化剂存在下，将芳香卤代硅烷与六氟丙酮反应，从而获得含有HFIP基团的芳香卤代硅烷；第二步是通过将含有HFIP基团的芳香卤代硅烷与醇反应来形成含有HFIP基团的芳香烷氧基硅烷。
• A stable aryldialkoxybrominane. Synthesis, structure, and reactions of an organo-nonmetallic 10-Br-3 species
  作者：T. T. Nguyen、S. R. Wilson、J. C. Martin

  DOI：10.1021/ja00273a041

  日期：1986.6
• NGUYEN T. T.; WILSON S. R.; MARTIN J. C., J. AMER. CHEM. SOC., 108,(1986) N 13, 3804-3811
  作者：NGUYEN T. T.、 WILSON S. R.、 MARTIN J. C.

  DOI：——

  日期：——
• Silicon-Containing Layer-Forming Composition, and Method for Producing Pattern-Equipped Substrate Which Uses Same
  申请人：Central Glass Company, Limited

  公开号：US20210082690A1

  公开（公告）日：2021-03-18

  Provided is a silicon-containing layer forming composition for forming a silicon-containing layer which exhibits an anti-reflective function during exposure in a multilayer resist process and, during dry etching, shows a high etching rate against a plasma of fluorine-based gas and a low etching rate against a plasma of oxygen-based gas. The silicon-containing layer forming composition includes a polysiloxane compound having a structural unit of the formula and a solvent. [(R 1 ) b R 2 m SiO n/2 ] In the formula, R 1 is a group represented by the following formula: (where a is an integer of 1 to 5; and a wavy line means that a line which the wavy line intersects is a bond); R 2 is each independently a hydrogen atom, a C 1 -C 3 alkyl group, a phenyl group, a hydroxy group, a C 1 -C 3 alkoxy group or a C 1 -C 3 fluoroalkyl group; b is an integer of 1 to 3; m is an integer of 0 to 2; n is an integer of 1 to 3; and a relationship of b+m+n=4 is satisfied.)