4,5-dimethyl-2-oxazolecarboxaldehyde | 65128-98-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4,5-dimethyl-2-oxazolecarboxaldehyde
• 英文别名: 4,5-Dimethyl-1,3-oxazole-2-carbaldehyde
• CAS: 65128-98-5
• 化学式: C₆H₇NO₂
• 分子量: 125.127
• InChiKey: XHEMOUHXSVJUJF-UHFFFAOYSA-N

物化性质

• 沸点：
  228.3±43.0 °C(Predicted)
• 密度：
  1.140±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4,5-二甲基噁唑 以50%的产率得到
  参考文献：
  名称：

  Sndler-Kulyk Marija, Vojnovi Dragana, Defterdarovi Nafis, Marini eljko, S+, Heterocycles, 38 (1994) N 8, S 1733-1736

  摘要：

  DOI：

文献信息

• Formylation of 2,5-Unsubsituted Oxazole: Preparation and Characterization of 2- and 5-Formyl-4-methyloxazoles
  作者：Marija Sindler-Kulyk、Dragana Vojnovic、Nafis Defterdarovic、Zeljko Marinic、Dunja Srzic

  DOI：10.3987/com-94-6693

  日期：——

  Vilsmeier formylation of 4-methyloxazole (1) gave a mixture of 4-methyl-5-oxazolecarboxaldehyde (2) and 4-methyl-2-oxazolecarboxaldehyde (3) in 1:1 ratio. Both aldehydes were prepared unambiguously: aldehyde (2) by oxidation of 5-hydroxymethyl-4-methyloxazole (4) and reduction of chloride of 4-methyl-5-oxazolecarboxylic acid (5) and aldehyde (3) by n-butyllithium/DME procedure. Aldehyde (2) sublimes in a refrigerator while aldehyde (3) forms hydrate, 5-dihydroxymethyl-4-methyloxazole (8).
• INHIBITORS OF APOL1 AND METHODS OF USING SAME
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20220106327A1

  公开（公告）日：2022-04-07

  The disclosure provides at least one entity chosen from compounds of Formula I, a tautomer thereof, a deuterated derivative of that compound or tautomer, and a pharmaceutically acceptable salt of any of the foregoing, compositions comprising the same, and methods of using the same, including uses in treating APOL1-mediated diseases, including pancreatic cancer, focal segmental glomerulosclerosis (FSGS), and/or non-diabetic kidney disease (NDKD).