2-(hydroxy-p-tolylmethyl)acrylic acid | 211916-96-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2-(hydroxy-p-tolylmethyl)acrylic acid
• 英文别名: 2-[Hydroxy-(4-methylphenyl)methyl]prop-2-enoic acid
• CAS: 211916-96-0
• 化学式: C₁₁H₁₂O₃
• mdl: MFCD20542876
• 分子量: 192.214
• InChiKey: IWGQMFBKXMRSAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(hydroxy-p-tolylmethyl)acrylic 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34%的产率得到4-methylphenylallene
  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：

  2-(羟基对甲苯甲基)-丙烯酸甲酯 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以0.36 g的产率得到2-(hydroxy-p-tolylmethyl)acrylic 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

• PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS
  申请人：Global Blood Therapeutics, Inc.

  公开号：US20150315198A1

  公开（公告）日：2015-11-05

  In one aspect this invention relates generally to compounds of Formula: and sub-formulas thereof, or a tautomer of each thereof, a pharmaceutically acceptable salt of each thereof, or a pharmaceutically acceptable solvate of each of the foregoing, where X 1 , L 1 , L 3 , and R 3 are described herein.

  在一个方面，这项发明通常涉及以下式的化合物： 及其亚式，或每个亚式的重排异构体，每个的药学上可接受的盐，或每个前述的药学上可接受的溶剂，其中X 1 ，L 1 ，L 3 和R 3 如本文所述。
• US9695166B2
  申请人：——

  公开号：US9695166B2

  公开（公告）日：2017-07-04
• [EN] PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS<br/>[FR] PYRAZOLOPYRIDINE, PYRAZOLOPYRIMIDINE ET COMPOSÉS APPARENTÉS
  申请人：GLOBAL BLOOD THERAPEUTICS INC

  公开号：WO2015171527A1

  公开（公告）日：2015-11-12

  In one aspect this invention relates generally to compounds of Formula (I-Y) and sub-formulas thereof, or a tautomer of each thereof, a pharmaceutically acceptable salt of each thereof, or a pharmaceutically acceptable solvate of each of the foregoing, where X1, L1, L3, and R3 are described herein.
• 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.