1,3-di(pentafluoropehnyl)propan-2-one | 34111-42-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1,3-di(pentafluoropehnyl)propan-2-one
• 英文别名: 1,3-Bis(pentafluorphenyl)aceton；1,3-Bispentafluorphenylaceton；1,3-Bis(2,3,4,5,6-pentafluorophenyl)propan-2-one
• CAS: 34111-42-7
• 化学式: C₁₅H₄F₁₀O
• 分子量: 390.18
• InChiKey: FXYUXGBBNMPHMK-UHFFFAOYSA-N

物化性质

• 沸点：
  300.1±37.0 °C(Predicted)
• 密度：
  1.634±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  1,3-di(pentafluoropehnyl)propan-2-one 、 nitromalondialdehyde sodium salt 以 乙醇 、 水 为溶剂， 反应 360.0h， 以96%的产率得到4-nitro-2,6-di(pentafluorophenyl)phenol
  参考文献：
  名称：

  合成及新的“亲氟”含氟和全氟烷基取代的吡啶鎓溶剂化紫外-可见光谱性质ñ -苯酚甜菜碱染料†往最‡

  摘要：

  合成及负溶致变色三个新的“亲氟”含氟和全氟烷基-取代的吡啶鎓ñ -苯酚甜菜碱染料3 - 5，以获得新的两性离子染料应该是碱性较弱的和在除溶剂化标准甜菜碱全氟化溶剂可溶性更好地描述染料1和2用于建立溶剂极性的经验标度，称为E T（30）或标度。新的甜菜碱染料3 - 5被设计成允许现有的延伸ë Ť（30）以适应新的溶剂。版权所有©2001 John Wiley＆Sons，Ltd.

  DOI：

  10.1002/poc.427
• 作为产物：
  描述：

  α-溴-2,3,4,5,6-五氟甲基苯酸酯 、 alkaline earth salt of/the/ methylsulfuric acid 以 苯 为溶剂， 反应 3.0h， 以63%的产率得到1,3-di(pentafluoropehnyl)propan-2-one
  参考文献：
  名称：

  合成及新的“亲氟”含氟和全氟烷基取代的吡啶鎓溶剂化紫外-可见光谱性质ñ -苯酚甜菜碱染料†往最‡

  摘要：

  合成及负溶致变色三个新的“亲氟”含氟和全氟烷基-取代的吡啶鎓ñ -苯酚甜菜碱染料3 - 5，以获得新的两性离子染料应该是碱性较弱的和在除溶剂化标准甜菜碱全氟化溶剂可溶性更好地描述染料1和2用于建立溶剂极性的经验标度，称为E T（30）或标度。新的甜菜碱染料3 - 5被设计成允许现有的延伸ë Ť（30）以适应新的溶剂。版权所有©2001 John Wiley＆Sons，Ltd.

  DOI：

  10.1002/poc.427

文献信息

• Catalyst comprising cyclic acylurea compounds and processes for production organic compounds with the same
  申请人：Ishii Yasutaka

  公开号：US20050020439A1

  公开（公告）日：2005-01-27

  A catalyst of the invention includes a cyclic acylurea compound having a cyclic acylurea skeleton represented by following Formula (I): wherein R is a hydrogen atom or a hydroxyl-protecting group; n is 1 or 2; G is a carbon atom or a nitrogen atom, where two Gs are the same or different when n is 2. The catalyst may include the cyclic acylurea compound and a metallic compound in combination. In the presence of the catalyst, (A) a compound capable of forming a radical is allowed to react with (B) a radical scavenging compound and thereby yields an addition or substitution reaction product of the compound (A) and the compound (B) or a derivative thereof. This catalyst can produce an organic compound with a high selectivity in a high yield as a result of, for example, an addition or substitution reaction under mild conditions.

  该发明的催化剂包括具有下式表示的环状酰脲骨架的环状酰脲化合物（I）：其中R是氢原子或羟基保护基；n为1或2；G是碳原子或氮原子，当n为2时，两个G可以相同或不同。该催化剂可以包括环状酰脲化合物和金属化合物的组合物。在催化剂的存在下，（A）能够形成自由基的化合物与（B）自由基清除化合物反应，从而产生化合物（A）和化合物（B）或其衍生物的加成或取代反应产物。该催化剂可以在温和条件下通过加成或取代反应产生高选择性和高产率的有机化合物。
• Catalyst comprising cyclic acylurea compound and process for producing organic compounds using the catalyst
  申请人：Ishii Yasutaka

  公开号：US20060030716A1

  公开（公告）日：2006-02-09

  A catalyst of the invention includes a cyclic acylurea compound having a cyclic acylurea skeleton represented by following Formula (I): wherein R is a hydrogen atom or a hydroxyl-protecting group; n is 1 or 2; G is a carbon atom or a nitrogen atom, where two Gs are the same or different when n is 2. The catalyst may include the cyclic acylurea compound and a metallic compound in combination. In the presence of the catalyst, (A) a compound capable of forming a radical is allowed to react with (B) a radical scavenging compound and thereby yields an addition or substitution reaction product of the compound (A) and the compound (B) or a derivative thereof. This catalyst can produce an organic compound with a high selectivity in a high yield as a result of, for example, an addition or substitution reaction under mild conditions.

  本发明的催化剂包括具有以下式（I）所表示的环状酰基脲骨架的环状酰基脲化合物，其中R是氢原子或羟基保护基；n为1或2；G为碳原子或氮原子，当n为2时，两个G可以相同或不同。该催化剂可以包括环状酰基脲化合物和金属化合物的组合。在催化剂的存在下，将（A）能够形成自由基的化合物与（B）自由基清除化合物反应，从而产生化合物（A）和化合物（B）或其衍生物的加成或取代反应产物。该催化剂可以在温和的条件下通过加成或取代反应产生高选择性的有机化合物，从而获得高收率。
• CATALYSTS COMPRISING CYCLIC ACYLUREA COMPOUNDS AND PROCESSES FOR PRODUCTION OF ORGANIC COMPOUNDS WITH THE SAME
  申请人：Daicel Chemical Industries, Ltd.

  公开号：EP1459804A1

  公开（公告）日：2004-09-22

  A catalyst of the invention includes a cyclic acylurea compound having a cyclic acylurea skeleton represented by following Formula (I): wherein R is a hydrogen atom or a hydroxyl-protecting group; n is 1 or 2; G is a carbon atom or a nitrogen atom, where two Gs are the same or different when n is 2. The catalyst may include the cyclic acylurea compound and a metallic compound in combination. In the presence of the catalyst, (A) a compound capable of forming a radical is allowed to react with (B) a radical scavenging compound and thereby yields an addition or substitution reaction product of the compound (A) and the compound (B) or a derivative thereof. This catalyst can produce an organic compound with a high selectivity in a high yield as a result of, for example, an addition or substitution reaction under mild conditions.

  本发明的催化剂包括一种环状酰基脲化合物，其环状酰基脲骨架由下式（I）表示： 其中 R 是氢原子或羟基保护基团；n 是 1 或 2；G 是碳原子或氮原子，当 n 为 2 时，两个 G 相同或不同。催化剂可包括环状酰基脲化合物和金属化合物的组合。在催化剂存在下，(A) 能形成自由基的化合物可与 (B) 自由基清除化合物发生反应，从而产生化合物 (A) 和化合物 (B) 或其衍生物的加成或取代反应产物。这种催化剂可以在温和的条件下，通过加成或取代反应等，生产出具有高选择性和高产率的有机化合物。
• Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same
  申请人：——

  公开号：US20020103400A1

  公开（公告）日：2002-08-01

  An optically active 1-(fluoro- or trifluoromethyl-substituted phenyl)ethylamine is produced with high optical purity and in an industrially simple and efficient manner by asymmetrically reducing an optically active imine, obtained by dehydration and condensation of a fluoro- or trifluoromethyl-substituted phenylmethyl ketone and an optically active primary amine under acidic conditions, using a hydride reducing agent to convert to an optically active secondary amine, and subjecting the secondary amine or its salt of an inorganic acid or organic acid to hydrogenolysis. In addition, an optically active 1-(fluoro- or trifluoromethyl-substituted phenyl)ethylamine is purified to an even higher optical purity in an industrially simple and efficient manner by converting the optically active secondary amine of the synthetic intermediate obtained by asymmetric reduction, or an optically active 1-(3,5-bis-trifluoromethylphenyl)ethylamine, one of the target compounds, to an inorganic or organic acid salt followed by recrystallization purification. This ethylamine is an important intermediate of pharmaceuticals and agricultural chemicals.

  一种光学活性的 1-(氟或三氟甲基取代苯基)乙胺是通过不对称还原光学活性亚胺，以高光学纯度和简单高效的工业方法制得的、在酸性条件下，通过氟或三氟甲基取代的苯基甲基酮和光学活性伯胺的脱水和缩合，使用氢化物还原剂转化为光学活性仲胺，再将仲胺或其无机酸或有机酸盐进行氢解。此外，通过不对称还原得到的合成中间体的光学活性仲胺或光学活性 1-(3,5-双三氟甲基苯基)乙胺（目标化合物之一）转化为无机酸或有机酸盐，然后进行重结晶纯化，可以以工业上简单高效的方式将光学活性 1-(氟或三氟甲基取代苯基)乙胺纯化到更高的光学纯度。这种乙胺是一种重要的医药和农药中间体。
• CATALYSTS COMPRISING CYCLIC ACYLUREA COMPOUNDS AND OXIDATION AND NITRATION REACTIONS OF ORGANIC COMPOUNDS IN THE PRESENCE OF THE SAME
  申请人：Daicel Chemical Industries, Ltd.

  公开号：EP1459804B1

  公开（公告）日：2010-06-02