1,1,1,7,7,7-六氟-2,6-二羟基-2,6-双(三氟甲基-4-庚酮) | 10487-11-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,1,1,7,7,7-六氟-2,6-二羟基-2,6-双(三氟甲基-4-庚酮)
• 英文名称: 1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-one
• 英文别名: 1,1,1,7,7,7-Hexafluor-2,6-bis(trifluormethyl)-2,6-dihydroxyheptan-4-on；1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone；4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-
• CAS: 10487-11-3
• 化学式: C₉H₆F₁₂O₃
• mdl: MFCD01723705
• 分子量: 390.126
• InChiKey: UTINOFCCXUSLQP-UHFFFAOYSA-N

物化性质

• 熔点：
  74-75 °C
• 沸点：
  315.0±37.0 °C(Predicted)
• 密度：
  1.660±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  15

安全信息

• 危险类别码：
  R36/37/38
• 海关编码：
  2914700090
• 安全说明：
  S26,S36/37/39

反应信息

• 作为反应物：
  描述：

  1,1,1,7,7,7-六氟-2,6-二羟基-2,6-双(三氟甲基-4-庚酮) 在 sodium tetrahydroborate 、 盐酸 、 乙醇 、 水 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成 1,1,1,7,7,7-Hexafluor-2,6-bis(trifluormethyl)heptan-2,4,6-triol
  参考文献：
  名称：

  NOVEL POLYMERIZABLE ACRYLATE COMPOUND CONTAINING HEXAFLUOROCARBINOL GROUP AND POLYMER MADE THEREFROM

  摘要：

  公开号：

  EP1645554B1
• 作为产物：
  描述：

  六氟丙酮 、 丙酮 生成 1,1,1,7,7,7-六氟-2,6-二羟基-2,6-双(三氟甲基-4-庚酮)
  参考文献：
  名称：

  Loeb,S.J. et al., Canadian Journal of Chemistry, 1978, vol. 56, p. 2369 - 2373

  摘要：

  DOI：

文献信息

• Novel polymerizable acrylate compound containing hexafluorocarbinol group and polymer made therefrom
  申请人：Miyazawa Satoru

  公开号：US20060217507A1

  公开（公告）日：2006-09-28

  The present invention relates to a polymerizable acrylate compound represented by the general formula (1): (in the formula, R 1 represents a hydrogen atom, halogen atom, hydrocarbon group or fluorine-containing alkyl group, R 2 and R 3 may be different or identical, and each of them independently is a hydrogen atom, fluorine atom, hydrocarbon group optionally branched, fluorine-containing alkyl group, aromatic group, or cyclic structure containing an aliphatic group and may contain oxygen or carbonyl bond) and a polymer compound obtained by using the same.

  本发明涉及通式（1）所代表的可聚合丙烯酸酯化合物： (式中，R 1 代表氢原子、卤素原子、烃基或含氟烷基，R 2 和 R 3 代表氢原子、卤素原子、烃基或含氟烷基，R 2 和 R 3 可不同或相同，且各自独立地为氢原子、氟原子、烃基（可选择支化）、含氟烷基、芳香基或含有脂肪族基团的环状结构，并可含有氧或羰基键）以及通过使用该物质获得的聚合物化合物。
• The cross-aldol reaction of hexafluoroacetone (HFA) with ketones catalyzed by an acid
  作者：Takeo Komata、Kei Matsunaga、Yoshiki Hirotsu、Shinya Akiba、Katsuyuki Ogura

  DOI：10.1016/j.jfluchem.2007.03.011

  日期：2007.8

  The cross-aldol reactions of hexafluoroacetone (HFA) and ketones using an acid catalyst are reported. When concentrated sulfuric acid was employed as the catalyst, HFA reacted regioselectively with various ketones at 50-100 degrees C to give the aldol adducts (6) in good yields. The reaction is initiated by an acid-catalyzed transformation of the ketone into the corresponding enol that reacts with HFA. The obtained adducts (6) can be reduced with hydrogen under a Ru/C catalyst to lead to the corresponding fluorine-containing diols (13).(c) 2007 Elsevier B.V. All rights reserved.
• MUTANT NQ-RHODOPSIN KR 2
  申请人：MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V.

  公开号：US20170362281A1

  公开（公告）日：2017-12-21

  The invention relates to mutant NQ-Rhodopsin having potassium pumping properties, nucleic acid constructs encoding same, expression vectors carrying the nucleic acid construct, cells comprising said nucleic acid construct or expression vector, and their respective uses.
• US7750178B2
  申请人：——

  公开号：US7750178B2

  公开（公告）日：2010-07-06
• [EN] LIGHT-GATED PENTAMERIC CHANNEL - A NEW OPTOGENETIC TOOL<br/>[FR] CANAL PENTAMÉRIQUE ACTIVÉS PAR LA LUMIÈRE, NOUVEL OUTIL OPTOGÉNÉTIQUE
  申请人：FORSCHUNGSZENTRUM JUELICH INST OF COMPLEX SYSTEMS

  公开号：WO2021086219A1

  公开（公告）日：2021-05-06

  The invention relates to newly characterized light-gated pentameric channels such as OLPVRII and their use in medicine, their utility as optogenetic tools, nucleic acid constructs encoding same, expression vectors carrying the nucleic acid construct, cells expressing said light-gated pentameric channels and their respective uses.