3-hydroxy-3-(2-nitrophenyl)-2-methylenepropionic acid | 379225-56-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-hydroxy-3-(2-nitrophenyl)-2-methylenepropionic acid
• 英文别名: 2-[hydroxy-(2-nitro-phenyl)-methyl]-acrylic acid；2-[Hydroxy-(2-nitrophenyl)methyl]prop-2-enoic acid；2-[hydroxy-(2-nitrophenyl)methyl]prop-2-enoic acid
• CAS: 379225-56-6
• 化学式: C₁₀H₉NO₅
• 分子量: 223.185
• InChiKey: FGBGJAWJIWUGKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-hydroxy-3-(2-nitrophenyl)-2-methylenepropionic acid 在 sodium carbonate 、 邻硝基苯磺酰氯 作用下， 以 二氯甲烷 为溶剂， 反应 48.25h， 以46%的产率得到3-methylene-4-(2-nitrophenyl)oxetan-2-one
  参考文献：
  名称：

  Unusual, Strained Heterocycles:  3-Alkylidene-2-methyleneoxetanes from Morita−Baylis−Hillman-type Adducts

  摘要：

  [GRAPHICS]3-Alkylidene-2-methyleneoxetanes have been prepared by treating alpha-alkylidene-beta-lactones, derived from Morita-Baylis-Hillman-type adducts, with dimethyltitanocene. Preliminary studies of the reactivity of these little known, strained heterocycles are also described.

  DOI：

  10.1021/ol020202v
• 作为产物：
  描述：

  3-羟基-2-亚甲基-3-(2-硝基苯基)丙酸甲酯 在 氢氧化钾 作用下， 以 甲醇 、 水 为溶剂， 反应 24.0h， 以92%的产率得到3-hydroxy-3-(2-nitrophenyl)-2-methylenepropionic acid
  参考文献：
  名称：

  Unusual, Strained Heterocycles:  3-Alkylidene-2-methyleneoxetanes from Morita−Baylis−Hillman-type Adducts

  摘要：

  [GRAPHICS]3-Alkylidene-2-methyleneoxetanes have been prepared by treating alpha-alkylidene-beta-lactones, derived from Morita-Baylis-Hillman-type adducts, with dimethyltitanocene. Preliminary studies of the reactivity of these little known, strained heterocycles are also described.

  DOI：

  10.1021/ol020202v

文献信息

• A novel precipitating auxiliary approach to the purification of Baylis–Hillman adducts
  作者：Todd Bosanac、Craig S. Wilcox

  DOI：10.1039/b103969p

  日期：——

  Diaryl alkene alcohol 1 is a ‘precipiton’, a precipitating auxiliary that is used to aid the isolation of Baylis–Hillman adducts.

  二芳基烯醇 1 是一种 "沉淀剂"，是一种沉淀辅助剂，用于帮助分离巴氏希尔曼加合物。
• Unusual, Strained Heterocycles:  3-Alkylidene-2-methyleneoxetanes from Morita−Baylis−Hillman-type Adducts
  作者：Isamir Martínez、Alexander E. Andrews、Joseph D. Emch、Albert J. Ndakala、Jun Wang、Amy R. Howell

  DOI：10.1021/ol020202v

  日期：2003.2.1

  [GRAPHICS]3-Alkylidene-2-methyleneoxetanes have been prepared by treating alpha-alkylidene-beta-lactones, derived from Morita-Baylis-Hillman-type adducts, with dimethyltitanocene. Preliminary studies of the reactivity of these little known, strained heterocycles are also described.