1-苯基-3-氯-2-(氯甲基)-1-丙酮 | 39192-57-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-苯基-3-氯-2-(氯甲基)-1-丙酮
• 英文名称: 1-phenyl-3-chloro-2-(chloromethyl)-1-propanone
• 英文别名: 3-chloro-2-(chloromethyl)-1-phenylpropan-1-one；2-Chloromethyl-3-chloropropiophenone；1,3-Dichloro-2-benzoylpropane；2-benzoyl-1,3-dichloropropane；3-chloro-2-chloromethyl-1-phenyl-propan-1-one；3-Chlor-2-chlormethyl-1-phenyl-propan-1-on
• CAS: 39192-57-9
• 化学式: C₁₀H₁₀Cl₂O
• 分子量: 217.095
• InChiKey: SJJAYVWBFICAEB-UHFFFAOYSA-N

物化性质

• 熔点：
  56-57 °C
• 沸点：
  326.1±32.0 °C(Predicted)
• 密度：
  1.225±0.06 g/cm3(Predicted)
• 保留指数：
  1600

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  4
• 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：
  1

反应信息

• 作为反应物：
  描述：

  1-苯基-3-氯-2-(氯甲基)-1-丙酮 在 sodium methylate 作用下， 生成 phenyl 1-(methoxymethyl)vinyl ketone
  参考文献：
  名称：

  Beets; Heeringa, Recueil des Travaux Chimiques des Pays-Bas, 1955, vol. 74, p. 1085,1097

  摘要：

  DOI：
• 作为产物：
  描述：

  3-甲氧基-2-(甲氧基甲基)-1-苯基-1-丙酮 在 盐酸 作用下， 以 水 为溶剂， 反应 24.0h， 生成 1-苯基-3-氯-2-(氯甲基)-1-丙酮
  参考文献：
  名称：

  [EN] HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS
  [FR] COMPOSÉS MODULATEURS DE FXR (NR1H4) CONTENANT DES GROUHYDROXY

  摘要：

  本发明涉及结合NR1 H4受体（FXR）并作为FXR激动剂的化合物（1）。本发明还涉及利用这些化合物（1）制备药物以治疗疾病和/或病况，通过这些化合物结合所述核受体，并涉及这些化合物的合成过程。

  公开号：

  WO2016096115A1

文献信息

• [EN] HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS<br/>[FR] COMPOSÉS MODULATEURS DE FXR (NR1H4) CONTENANT DES GROUHYDROXY
  申请人：GILEAD SCIENCES INC

  公开号：WO2016096115A1

  公开（公告）日：2016-06-23

  The present invention relates to compounds (1) which bind to the NR1 H4 receptor (FXR) and act as agonists of FXR. The invention further relates to the use of the compounds (1) for the preparation of a medicament for the treatment of diseases and/or conditions through binding of said nuclear receptor by said compounds and to a process for the synthesis of said compounds.

  本发明涉及结合NR1 H4受体（FXR）并作为FXR激动剂的化合物（1）。本发明还涉及利用这些化合物（1）制备药物以治疗疾病和/或病况，通过这些化合物结合所述核受体，并涉及这些化合物的合成过程。
• COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION
  申请人：Xu Lifeng

  公开号：US20140045779A1

  公开（公告）日：2014-02-13

  This invention relates with anti-tumor activities of new compounds containing an adamantyl group or analogs thereof. The invention also relates with the medication applications of anti-tumor and other diseases by this kind of compounds with the combination of S, P, T structures containing adamantyl group and the formation of stereoisomer, tautomers, prodrug, pharmaceutically acceptable salts, complex salts or solvates to their anticancer application and anticancer agents, which have the following general formula:

  这项发明涉及含有金刚烷基团或其类似物的新化合物的抗肿瘤活性。该发明还涉及利用这种含有金刚烷基团的S、P、T结构的化合物与立体异构体、互变异构体、前药、药用盐、复杂盐或溶剂化物的结合来治疗抗肿瘤和其他疾病的药物应用，这些抗肿瘤剂具有以下一般公式：
• Stereoselective Synthesis of Novel Chimerical Amino Acids via a Photochemical Key Step
  作者：Pablo Wessig

  DOI：10.1055/s-1999-2843

  日期：1999.9

  The synthesis of novel chimerical amino acid derivatives 6-8 bearing the 6-azatricyclo[3.3.1.03,7]nonane (methanotropane)skeleton is described. Starting with one chirality centre in L-4-oxoprolines 2 we succeeded in the fully stereoselective introduction of four new chirality centres. The key step of our synthetic route is a photochemical cyclization of phenyl ketones, whose stereoselectivity has been explained by the different stability of the triplet biradical conformers.

  描述了具有6-氮杂三环[3.3.1.03,7]壬烷（甲烷转化烯）骨架的新型嵌合氨基酸衍生物6-8的合成。我们从具有一个手性中心的L-4-氧代脯氨酸2出发，成功地全立体选择性地引入了四个新的手性中心。我们合成路线的关键步骤是苯基酮的光化学环化，其立体选择性已通过三重重叠自由基构象的不同稳定性得到了解释。
• IMPROVED METHOD FOR PRODUCING SPECIFIC OXIMES AND OXIMETHERS
  申请人：BAYER CROPSCIENCE Aktiengesellschaft

  公开号：US20160107986A1

  公开（公告）日：2016-04-21

  Method for preparing certain oximes and oxime O-methyl ethers by reacting poorly water-soluble carbonyl compounds with salts of hydroxylamine or hydroxylamine O-methyl ether or the free base of hydroxylamine in the presence of certain phosphoric esters or salts thereof of the formula (I) wherein R 1 , R 2 and X are defined as specified in the description.

  通过将难溶于水的羰基化合物与羟胺盐或羟胺O-甲醚盐或羟胺的自由碱在某些磷酸酯或其盐的存在下反应，制备某些肟和肟O-甲醚的方法，其中磷酸酯或其盐的化学式为(I)，其中R1、R2和X的定义如描述中所述。
• [EN] FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE<br/>[FR] COMPOSITION FONGICIDE CONTENANT UN DÉRIVÉ D'AMIDE D'ACIDE
  申请人：ISHIHARA SANGYO KAISHA

  公开号：WO2006016708A1

  公开（公告）日：2006-02-16

  Conventional many fungicidal compositions have had practical problems such that either a preventive effect or a curing effect is inadequate, the residual effect tends to be inadequate, or the controlling effect against plant diseases tends to be inadequate depending upon the application site, and a fungicidal composition to overcome such problems has been desired. The present invention provides a fungicidal composition containing an acid amide derivative of the formula (I) or a salt thereof, as an active ingredient: wherein A is phenyl which may be substituted, benzyl which may be substituted, naphthyl which may be substituted, heterocyclic ring which may be substituted, fused heterocyclic ring which may be substituted, or the like; B is heterocyclic ring which may be substituted, fused heterocyclic ring which may be substituted, or naphthyl which may be substituted; each of R1 and R2 which are independent of each other, is alkyl, or the like; R3 is hydrogen, or the like; each of W1 and W2 which are independent of each other, is oxygen or sulfur.

  传统的许多杀真菌组合物存在实际问题，例如预防效果或治疗效果不足，残留效果往往不足，或者根据应用场所，控制植物病害的效果往往不足，因此需要一种能够克服这些问题的杀真菌组合物。本发明提供了一种含有式(I)的酸酰胺衍生物或其盐的杀真菌组合物作为活性成分：其中A是苯基，可能被取代，苄基，可能被取代，萘基，可能被取代，杂环环，可能被取代，融合的杂环环，可能被取代，或类似物；B是可能被取代的杂环环，融合的可能被取代的杂环环，或可能被取代的萘基；R1和R2各自独立的，是烷基，或类似物；R3是氢，或类似物；W1和W2各自独立的，是氧或硫。