3-bromo-5-nitro-thiophene-2-carbaldehyde | 89283-21-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3-bromo-5-nitro-thiophene-2-carbaldehyde
• 英文别名: 3-bromo-5-nitrothiophene-2-carbaldehyde
• CAS: 89283-21-6
• 化学式: C₅H₂BrNO₃S
• 分子量: 236.046
• InChiKey: CUXKQIATXULSPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  91.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-bromo-5-nitro-thiophene-2-carbaldehyde 、 环己胺 在 三(三甲代甲硅烷基)亚磷酸盐 作用下， 生成 [(3-Bromo-5-nitro-thiophen-2-yl)-hydroxy-methyl]-phosphonic acid; compound with cyclohexylamine
  参考文献：
  名称：

  Nitroarylhydroxymethylphosphonic acids as inhibitors of CD45

  摘要：

  A series of nitroarylhydroxymethylphosphonic acids was synthesized and evaluated as inhibitors of CD45. It was discovered that both the alpha hydroxy and nitro groups are essential for activity. Potency is enhanced by the addition of a large lipophilic group on the aryl ring adjacent to the phosphonic acid moiety. Kinetics studies have shown that these compounds are competitive inhibitors and thus bind at the active site of this enzyme. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(97)00174-0

文献信息

• Microwave-assisted synthesis of indole-2-carboxylic acid esters in ionic liquid
  作者：Lijun Gu、Xiangguang Li

  DOI：10.1590/s0103-50532011001100003

  日期：——

  An improved procedure for the synthesis of indole-2-carboxylic acid esters in excellent yields has been achieved by the condensation of 2-halo aryl aldehydes or ketones and ethyl isocyanoacetate using ionic liquid under controlled microwave irradiation (100 W) at 50 °C. This method offers a number of advantages in terms of methodology, high-product yield, short period of conversion, mild reaction conditions

  在控制微波辐射（100 W）和50°C的条件下，使用离子液体将2-卤代芳基醛或酮与异氰基乙酸乙酯缩合，从而实现了以优异的产率合成吲哚-2-羧酸酯的改进方法。该方法在方法学，高产物收率，短转化时间，温和的反应条件和易于后处理方面具有许多优点。