3-(2,6-二氯-苯基)-丙醛 | 1057670-91-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(2,6-二氯-苯基)-丙醛
• 英文名称: 3-(2,6-dichlorophenyl)propionaldehyde
• 英文别名: 3-(2,6-dichlorophenyl)propanal
• CAS: 1057670-91-3
• 化学式: C₉H₈Cl₂O
• mdl: MFCD09028571
• 分子量: 203.068
• InChiKey: WHXXZBUJTXKMKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 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：

  3-(2,6-二氯-苯基)-丙醛 在 盐酸羟胺 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 3-(2,6-dichlorophenyl)propanal oxime
  参考文献：
  名称：

  Substituted isoxazole analogs of farnesoid X receptor (FXR) agonist GW4064

  摘要：

  Starting from the known FXR agonist GW 4064 1a, a series of alternately 3,5-substituted isoxazoles was prepared. Several of these analogs were potent full FXR agonists. A subset of this series, with a tether between the isoxazole ring and the 3-position aryl substituent, were equipotent FXR agonists to GW 4064 1a, with the 2,6-dimethyl phenol analog 1t having greater FRET FXR potency than GW 4064 1a. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.047
• 作为产物：
  描述：

  2,6-二氯苯丙醇 在 三乙胺 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 3.5h， 以89%的产率得到3-(2,6-二氯-苯基)-丙醛
  参考文献：
  名称：

  WO2007/76260

  摘要：

  公开号：

文献信息

• Nitrogen-heterocyclic compound and process for production thereof
  申请人：Tosoh Corporation

  公开号：US06346621B1

  公开（公告）日：2002-02-12

  A nitrogen-heterocyclic compound is provided which is represented by General Formula (1): where R1 and R2 are independently hydrogen, an alkyl group, an aryl group, or a heteroaryl group; R3 is hydrogen or an aryl group; R4 is a substituted amino group, an alkoxy group, a nitro group, or halogen; m is an integer from 0 to 2; and n is 0 or 1. A process for producing the above compound is also provided. This compound is useful as a source material of medicines, pesticides, electronic materials, and intermediates for other substituted nitrogen-heterocyclic compounds.

  提供一种由一般式（1）表示的氮杂环化合物： 其中R1和R2分别是氢、烷基、芳基或杂芳基；R3是氢或芳基；R4是取代氨基、烷氧基、硝基或卤素；m是0到2之间的整数；n为0或1。还提供了制备上述化合物的方法。该化合物可用作药物、杀虫剂、电子材料的原料，以及其他取代氮杂环化合物的中间体。
• [EN] CARBOSTYRIL COMPOUND<br/>[FR] DÉRIVÉ DE CARBOSTYRILE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2006035954A1

  公开（公告）日：2006-04-06

  The present invention provides a carbostyril compound represented by General Formula (1) or a salt thereof, wherein A is a direct bond, a lower alkylene group, or a lower alkylidene group; X is an oxygen atom or a sulfur atom; R4 and R5 each represent a hydrogen atom; the bond between the 3 and 4 positions of the carbostyril skeleton is a single bond or a double bond; R1 is a hydrogen atom, etc; R2 is a hydrogen atom, etc; and R3 is a hydrogen atom, etc. The carbostyril compound or salt thereof of the present invention induces the production of TFF, and thus is usable for the treatment and/or prevention of disorders such as alimentary tract diseases, oral diseases, upper respiratory tract diseases, respiratory tract diseases, eye diseases, cancers, and wounds.

  本发明提供了一种由通式（1）表示的羧基吲哚化合物或其盐，其中A是直链键、较低的烷基烯基或较低的烷基亚烯基；X是氧原子或硫原子；R4和R5分别表示氢原子；羧基吲哚骨架的3和4位置之间的键是单键或双键；R1是氢原子，等等；R2是氢原子，等等；R3是氢原子，等等。本发明的羧基吲哚化合物或其盐诱导TFF的产生，因此可用于治疗和/或预防消化道疾病、口腔疾病、上呼吸道疾病、呼吸道疾病、眼部疾病、癌症和伤口等疾病。
• Carbostyril compound
  申请人：Kuroda Takeshi

  公开号：US20070179173A1

  公开（公告）日：2007-08-02

  The present invention provides a carbostyril compound represented by General Formula (1) or a salt thereof, wherein A is a direct bond, a lower alkylene group, or a lower alkylidene group; X is an oxygen atom or a sulfur atom; R 4 and R 5 each represent a hydrogen atom; the bond between the 3 and 4 positions of the carbostyril skeleton is a single bond or a double bond; R 1 is a hydrogen atom, etc; R 2 is a hydrogen atom, etc; and R 3 is a hydrogen atom, etc. The carbostyril compound or salt thereof of the present invention induces the production of TFF, and thus is usable for the treatment and/or prevention of disorders such as alimentary tract diseases, oral diseases, upper respiratory tract diseases, respiratory tract diseases, eye diseases, cancers, and wounds.

  本发明提供了一种由通式（1）表示的碳基噻吩化合物或其盐，其中A是直接键，较低的烷基烷基或较低的烷基亚烷基；X是氧原子或硫原子；R4和R5分别表示氢原子；碳基噻吩骨架的3和4位之间的键是单键或双键；R1是氢原子等；R2是氢原子等；R3是氢原子等。本发明的碳基噻吩化合物或其盐能够诱导TFF的产生，因此可用于治疗和/或预防消化道疾病、口腔疾病、上呼吸道疾病、呼吸道疾病、眼部疾病、癌症和伤口等疾病。
• FARNESOID X RECEPTOR AGONISTS
  申请人：CALDWELL Richard

  公开号：US20080167356A1

  公开（公告）日：2008-07-10

  The present invention provides novel substituted isoxazole compounds, pharmaceutical compositions, therapeutic uses and processes for preparing the same.

  本发明提供了新型的取代异噁唑化合物、制备这些化合物的药物组合物、治疗用途和制备过程。
• Farnesoid X Receptor Agonists
  申请人：Caldwell Richard

  公开号：US20100160398A1

  公开（公告）日：2010-06-24

  The present invention provides novel substituted isoxazole compounds, pharmaceutical compositions, therapeutic uses and processes for preparing the same.

  本发明提供了新型取代异噁唑化合物、制药组合物、治疗用途和制备方法。