1-(2,5-difluorophenyl)-2-methylpropan-1-one | 1094292-49-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2,5-difluorophenyl)-2-methylpropan-1-one
• CAS: 1094292-49-5
• 化学式: C₁₀H₁₀F₂O
• mdl: MFCD11205127
• 分子量: 184.186
• InChiKey: UJXOHSNBJKFWMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2,5-difluorophenyl)-2-methylpropan-1-one 在 盐酸 、 sodium tetrahydroborate 、 (S)-3,3'-bis(2,4,6-tri-iso-propylphenyl)-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate 、 bis(2,6-dichlorobenzyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 、 溶剂黄146 、 N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate 作用下， 以 甲醇 、 乙醚 、 正己烷 、 水 为溶剂， 反应 21.0h， 生成 (S)-2-(2,5-difluorophenyl)-3,3-dimethylindoline
  参考文献：
  名称：

  Single-Operation Deracemization of 3H-Indolines and Tetrahydroquinolines Enabled by Phase Separation

  摘要：

  The single-operation deracemization of 3H indolines and tetrahydroquinolines is described. An asymmetric redox approach was employed, in which a phosphoric acid catalyst, oxidant, and reductant are present in the reaction mixture. The simultaneous presence of both oxidant and reductant was enabled by phase separation and resulted in the isolation of highly enantioenriched starting materials in high yields.

  DOI：

  10.1021/ja4082827
• 作为产物：
  描述：

  2,5-二氟苯甲醛 在 草酰氯 作用下， 以 四氢呋喃 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 1.28h， 生成 1-(2,5-difluorophenyl)-2-methylpropan-1-one
  参考文献：
  名称：

  Single-Operation Deracemization of 3H-Indolines and Tetrahydroquinolines Enabled by Phase Separation

  摘要：

  The single-operation deracemization of 3H indolines and tetrahydroquinolines is described. An asymmetric redox approach was employed, in which a phosphoric acid catalyst, oxidant, and reductant are present in the reaction mixture. The simultaneous presence of both oxidant and reductant was enabled by phase separation and resulted in the isolation of highly enantioenriched starting materials in high yields.

  DOI：

  10.1021/ja4082827

文献信息

• Substituted pyrazoles as p38 kinase inhibitors
  申请人：Naraian S. Ashok

  公开号：US20070078146A1

  公开（公告）日：2007-04-05

  A class of pyrazole derivatives is described for use in treating p38 kinase medicated disorders. Compounds of particular interest are defined by Formula IA wherein R 1 , R 2 , R 3 and R 4 are as described in the specification.

  描述了一类吡唑衍生物，用于治疗p38激酶介导的疾病。特别感兴趣的化合物由公式IA定义，其中R1、R2、R3和R4如规范中所述。
• Process for the Manufacture of Epoxybutanol Intermediates
  申请人：Muller Marc

  公开号：US20090299073A1

  公开（公告）日：2009-12-03

  Disclosed is a process for the manufacture of a Compound of formula (I) wherein Hal represents fluoro or chloro, and R 1 and R 2 represent, independently from one another, hydrogen or Hal; in which process a Compound of formula (II) is converted to a corresponding alkyl, fluoroalkyl or aryl sulfonic acid ester, which is then reacted with an alkali metal nitrite in the presence of a suitable crown ester in a polar non-nucleophilic solvent at a temperature of −10 to 50° C. to give the Compound of formula (I).

  本发明揭示了一种制造式（I）的化合物的方法，其中Hal代表氟或氯，R1和R2分别独立地表示氢或Hal; 在该方法中，式（II）的化合物被转化为相应的烷基，氟代烷基或芳基磺酸酯，然后在极性非亲核溶剂中，在适当的冠醚的存在下，与碱金属亚硝酸盐在−10至50℃的温度下反应，以得到式（I）的化合物。
• Process for the manufacture of epoxy triazole derivatives
  申请人：Muller Marc

  公开号：US20110021794A1

  公开（公告）日：2011-01-27

  Disclosed is a process for the manufacture of a compound of formula (I) wherein Hal represents fluoro or chloro, and R 1 and R 2 represent, independently from one another, hydrogen or Hal; in which process a compound of formula (II) is converted to a corresponding alkyl, fluoroalkyl or aryl sulfonic acid ester, which is then reacted with an alkali metal nitrite in the presence of a suitable crown ether in a polar non-nucleophilic solvent at a temperature of −10 to 50° C. to give the compound of formula (I).

  本发明揭示了一种制备式（I）化合物的方法，其中Hal代表氟或氯，R1和R2分别独立地表示氢或Hal；在该方法中，式（II）化合物被转化为相应的烷基，氟烷基或芳基磺酸酯，然后在适当的冠醚存在下，在极性非亲核溶剂中与碱金属亚硝酸盐在-10℃至50℃的温度下反应，以得到式（I）化合物。
• Avermectin And Avermectin Monosaccharide Substituted In The 4"- And 4" Position Respectively
  申请人：Jung Pierre

  公开号：US20080051353A1

  公开（公告）日：2008-02-28

  A compound of the formula (I) wherein the bond between carbon atoms 22 and 23 indicated with a broken line is a single or double bond, m is 0 or 1, R 1 represents a C 1 -C 12 alkyl, C 3 -C 8 cycloalkyl or C 2 -C 12 alkenyl group, R 2 represents a hydrocarbyl group or a substituted hydrocarbyl group, and R 3 and R 4 represent, independently of each other, hydrogen or a chemical constituent, or either R 2 and R 3 together or R 3 and R 4 together represent a three- to seven-membered alkylene or a four- to seven-membered alkenylene bridge, for each of which at least one, preferably a CH 2 group may be replaced by O, S or NR 6 where R 6 represents hydrogen or a hydrocarbyl group or a substituted hydrocarbyl group; or, if appropriate, an E/Z isomer and/or tautomer of the compound of formula (I), in each case in free form or in salt form.
• US7687470B2
  申请人：——

  公开号：US7687470B2

  公开（公告）日：2010-03-30