(2-oxoquinolin-1(2H)-yl)acetaldehyde | 203859-91-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (2-oxoquinolin-1(2H)-yl)acetaldehyde
• 英文别名: 1-formylmethyl-2(1H)-quinolinone；2-(2-oxoquinolin-1-yl)acetaldehyde
• CAS: 203859-91-0
• 化学式: C₁₁H₉NO₂
• 分子量: 187.198
• InChiKey: WDZREIVAMFZTOB-UHFFFAOYSA-N

物化性质

• 沸点：
  305.1±41.0 °C(Predicted)
• 密度：
  1.231±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2-oxoquinolin-1(2H)-yl)acetaldehyde 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 生成 1-[2-(4-cyclohexanemethyl-1-piperazinyl)-ethyl]-2(1H)-quinolinone
  参考文献：
  名称：

  EP934932

  摘要：

  公开号：
• 作为产物：
  描述：

  2-喹啉醇 在 水 、 sodium hydride 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.33h， 生成 (2-oxoquinolin-1(2H)-yl)acetaldehyde
  参考文献：
  名称：

  EP1900732

  摘要：

  公开号：

文献信息

• DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES
  申请人：Ballell Llius

  公开号：US20090270374A1

  公开（公告）日：2009-10-29

  Bicyclic nitrogen containing compounds and their use as antibacterials.

  双环氮含有化合物及其作为抗菌剂的应用。
• NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF
  申请人：Kiyoto Taro

  公开号：US20100168418A1

  公开（公告）日：2010-07-01

  A nitrogen-containing heterocyclic compound represented by the general formula: wherein the dashed line represents a single bond or a double bond; R 1 , R 2 , R 3 , R 4 and R 5 independently represent a hydrogen atom, halogen atom, a lower alkyl, aryl, lower alkoxy or monocyclic heterocyclic group which may be substituted or the like; R 6 represents a lower alkyl, aryl, monocyclic heterocyclic, bicyclic heterocyclic or tricyclic heterocyclic group which may be substituted; X 1 represents a lower alkylene group or the like; X 2 represents a lower alkylene, lower alkenylene or lower alkynylene group which may be substituted; X 3 represents an oxygen atom, sulfur atom, a sulfinyl group, sulfonyl group or the like; Y 1 represents a bivalent cyclic group, containing a nitrogen, which may be substituted or the like; and Z 1 represents a nitrogen atom, a carbon atom which may be substituted or the like, or a salt thereof. The compound or salt has a potent antibacterial activity and a high safety, and is therefore useful as an excellent antibacterial agent.

  一种含氮杂环化合物，通式如下：其中虚线代表单键或双键；R1、R2、R3、R4和R5分别独立地代表氢原子、卤素原子、较低的烷基、芳基、较低的烷氧基或可以被取代的单环杂环基等；R6代表较低的烷基、芳基、单环杂环、双环杂环或三环杂环基，可以被取代；X1代表较低的烷基亚基或类似物；X2代表可以被取代的较低烷基、较低烯基或较低炔基亚基；X3代表氧原子、硫原子、亚砜基、磺酰基或类似物；Y1代表含有氮的二价环状基团，可以被取代或类似物；Z1代表氮原子、可以被取代的碳原子或类似物，或其盐。该化合物或盐具有强效的抗菌活性和高度的安全性，因此可用作优良的抗菌剂。
• QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION
  申请人：KIYOTO Taro

  公开号：US20120214990A1

  公开（公告）日：2012-08-23

  A nitrogen-containing heterocyclic compound or pharmaceutically acceptable salt thereof represented by the general formula: which have a potent antibacterial activity and a high safety. Thus, the compounds are useful as antibacterial agents against gram-positive bacteria, gram-negative bacteria and drug resistant bacteria.

  一种含氮杂环化合物，或其药学上可接受的盐，其通式如下：具有强效的抗菌活性和高安全性。因此，这些化合物可用作抗革兰阳性菌、抗革兰阴性菌和抗药性菌的抗菌剂。
• Quinoxalinones as antibacterial composition
  申请人：Toyama Chemical Co., Ltd.

  公开号：US08329694B2

  公开（公告）日：2012-12-11

  A nitrogen-containing heterocyclic compound or pharmaceutically acceptable salt thereof represented by the general formula: which have a potent antibacterial activity and a high safety. Thus, the compounds are useful as antibacterial agents against gram-positive bacteria, gram-negative bacteria and drug resistant bacteria.

  一种含氮杂环化合物或其药学上可接受的盐，其通式表示如下：具有强效的抗菌活性和高度安全性。因此，这些化合物可用作抗革兰氏阳性菌、抗革兰氏阴性菌和抗药性菌的抗菌剂。
• NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF
  申请人：KIYOTO Taro

  公开号：US20120226035A1

  公开（公告）日：2012-09-06

  Disclosed is a compound represented by the general formula: wherein R 1 represents an aryl or heterocyclic group which may be substituted or the like; X 1 represents a C 2 -C 4 alkylene group or the like; X 2 , X 3 and X 5 independently represent NH, a bond or the like; X 4 represents a lower alkylene group, a bond or the like; Y 1 represents a bivalent alicyclic hydrocarbon residue which may be substituted or a bivalent alicyclic amine residue which may be substituted; and Z 1 , Z 2 , Z 3 , Z 4 , Z 5 and Z 6 independently represent a nitrogen atom, a group represented by the formula: CH, or the like, provided that at least one of Z 3 , Z 4 , Z 5 and Z 6 represents a nitrogen atom, or a salt thereof, which is useful as an antibacterial agent.

  本发明公开了一种化合物，其通式表示为：其中R1表示取代的芳基或杂环基等；X1表示C2-C4烷基或类似基团；X2、X3和X5独立地表示NH、键或类似基团；X4表示低级烷基基团、键或类似基团；Y1表示可以取代的二价脂环烃残基或可以取代的二价脂环胺残基；Z1、Z2、Z3、Z4、Z5和Z6独立地表示氮原子、由公式CH表示的基团或类似基团，其中至少有一个Z3、Z4、Z5和Z6表示氮原子，或其盐，其作为抗菌剂有用。