1,3-dimethyl-4-(4'-fluorobenzoyl)benzene | 837-61-6

• 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: 1,3-dimethyl-4-(4'-fluorobenzoyl)benzene
• 英文别名: 4-fluoro-2',4'-dimethylbenzophenone；(2,4-dimethylphenyl)(4-fluorophenyl)methanone；4-Fluor-2',4'-dimethyl-benzophenon；4'-Fluor-2,4-dimethyl-benzophenon；(2,4-Dimethyl-phenyl)-(4-fluoro-phenyl)-methanone；(2,4-dimethylphenyl)-(4-fluorophenyl)methanone
• CAS: 837-61-6
• 化学式: C₁₅H₁₃FO
• mdl: MFCD11210369
• 分子量: 228.266
• InChiKey: HMXIHUAUAFXEMP-UHFFFAOYSA-N

物化性质

• 沸点：
  174-175 °C(Press: 10 Torr)
• 密度：
  1.117±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,3-dimethyl-4-(4'-fluorobenzoyl)benzene 、 甲氧苯胺 在 四氯化钛 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 以22%的产率得到N-((2,4-dimethylphenyl)(4-fluorophenyl)methylene)-4-methoxyaniline
  参考文献：
  名称：

  对映选择性的路易斯碱催化的取代苯甲酮N-芳基亚胺的不对称氢化硅烷化：手性（二芳基甲基）胺的高效合成

  摘要：

  AbstractLewis‐base‐catalyzed asymmetric hydrosilylation of substituted benzophenone N‐aryl imines was investigated. Among various chiral Lewis‐base catalysts, a catalyst derived from L‐Serine was found to be the most favorable one which promote the reaction to afford a series of (diarylmethyl)amines with high yields (up to 97 %) in moderate to good enantioselectivities (up to 97 % ee). The absolute configuration of the product was determined by the X‐ray crystallographic analysis.magnified image

  DOI：

  10.1002/adsc.201400643
• 作为产物：
  描述：

  2,4-二甲基苯甲酰氯 在 三氯化铝 作用下， 以 氟苯 、 邻二氯苯 为溶剂， 以85%的产率得到1,3-dimethyl-4-(4'-fluorobenzoyl)benzene
  参考文献：
  名称：

  PRODUCTION METHOD OF CITALOPRAM, INTERMMEDIATE THEREFOR AND PRODUCTION METHOD OF THE INTERMEDIATE

  摘要：

  西酞普兰可以通过将以下化合物的化学式［VI］与3-(二甲氨基)丙基氯化物在N,N,N′,N′-四甲基乙二胺和1,3-二甲基-2-咪唑烷酮和缩合剂的存在下反应，以高产率进行工业和经济生产。作为西酞普兰生产的关键化合物，以下化合物的化学式［III］可以通过将以下化合物的化学式［II］经过还原和环化来轻松生产。

  公开号：

  US20020062040A1

文献信息

• PYRROLIDINE GPR40 MODULATORS
  申请人：Ellsworth Bruce A.

  公开号：US20110082165A1

  公开（公告）日：2011-04-07

  The present invention provides compounds of Formula (I): or a stereoisomer, or a pharmaceutically acceptable salt thereof, wherein all of the variables are as defined herein. These compounds are GPR40 G protein-coupled receptor modulators which may be used as medicaments.

  本发明提供了式(I)的化合物： 或其立体异构体，或药用可接受的盐，其中所有变量均如本文所述定义。这些化合物是GPR40 G蛋白偶联受体的调节剂，可用作药物。
• Process for producing fluorobenzophenone derivatives
  申请人：Mitsui Toatsu Chemicals, Inc.

  公开号：US04453009A1

  公开（公告）日：1984-06-05

  4-Fluorobenzophenone derivatives of 4,4'-difluorobenzophenone are produced by effecting a halogen-fluorine exchanging reaction between the corresponding 4-halogenobenzophenone derivatives or 4,4'-dihalogenobenzophenone and an alkali fluoride. The reaction is carried out by heating in an organic solvent. After distilling off the solvent from the reaction product mixture, the end product is isolated by extracting with a solvent. Alternatively the end product is isolated by distillation.

  4,4'-二氟联苯的4-氟苯基苯酮衍生物是通过在相应的4-卤苯基苯酮衍生物或4,4'-二卤苯基苯酮与碱金属氟化物之间进行卤素-氟素交换反应制备的。该反应是在有机溶剂中加热进行的。在从反应产物混合物中蒸馏掉溶剂后，通过用溶剂萃取来分离得到最终产物。或者，最终产物可以通过蒸馏来分离。
• [EN] NOVEL 4ß-AMINO PODOPHVLLOTOXIN CONGENERS AS ANTI TUMOUR ANTIBIOTICS A PROCESS FOR THE PREPARATION THEREOF<br/>[FR] NOUVEAUX CONGÉNÈRES DE 4ß-AMINO PODOPHYLLOTOXINE UTILISÉS COMME ANTIBIOTIQUES ANTITUMORAUX ET PROCESSUS DE PRÉPARATION DE CEUX-CI
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2010052733A1

  公开（公告）日：2010-05-14

  The present invention provises novel β-amino podophyllotoxin congeners of general formula (A); R = CH3, or H; R1 = (a) or (b) or (c) or (d) or (e) or (f). The present invention also provides a process for the preparation of 4β-amino podophyllotoxin congeners useful as antitumour agents.

  本发明提供了一种新的β-氨基鬼臼毒素衍生物，其通式为(A)；其中R = CH3或H；R1 = (a)或(b)或(c)或(d)或(e)或(f)。本发明还提供了一种制备4β-氨基鬼臼毒素衍生物的方法，该衍生物可用作抗肿瘤剂。
• Production method of citalopram, intermediate therefor and production method of the intermediate
  申请人：Sumika Fine Chemicals Co., Ltd.

  公开号：US20040230066A1

  公开（公告）日：2004-11-18

  Citalopram can be industrially and economically produced and at a high yield by reacting a compound of the following formula [VI] with 3-(dimethylamino)propyl chloride in the presence of at least one of N,N,N′,N′-tetramethylethylenediamine and 1,3-dimethyl-2-imidazolidinone and a condensing agent. The compound of the following formula [III], which is a key compound for the production of citalopram, can be easily produced by subjecting the compound of the following formula [II] to reduction and cyclization. 1

  Citalopram可以通过将以下公式[VI]的化合物与3-(二甲氨基)丙基氯化物在至少一种N,N,N′,N′-四甲基乙二胺和1,3-二甲基-2-咪唑烷酮和缩合剂的存在下反应，以高收率进行工业和经济生产。以下公式[III]的化合物是生产Citalopram的关键化合物，可以通过还原和环化以下公式[II]的化合物来轻松生产。
• Production methods of citalopram and an intermediate therefor
  申请人：Sumika Fine Chemicals Co., Ltd.

  公开号：US06458975B1

  公开（公告）日：2002-10-01

  Citalopram can be industrially and economically produced and at a high yield by reacting a compound of the following formula [VI] with 3-(dimethylamino)propyl chloride in the presence of at least one of N,N,N′,N′-tetramethylethylenediamine and 1,3-dimethyl-2-imidazolidinone and a condensing agent.

  Citalopram可以通过在N,N,N′,N′-四甲基乙二胺和1,3-二甲基-2-咪唑烷酮和缩合剂的存在下，将以下化合物VI与3-(二甲氨基)丙基氯反应，高产量地进行工业和经济生产。