2,2-difluoro-3-hydroxypropanoic acid | 2368-37-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: 2,2-difluoro-3-hydroxypropanoic acid
• CAS: 2368-37-8
• 化学式: C₃H₄F₂O₃
• mdl: MFCD05864328
• 分子量: 126.06
• InChiKey: MBGWRZJHVFZWDO-UHFFFAOYSA-N

物化性质

• 沸点：
  287.8±40.0 °C(Predicted)
• 密度：
  1.553±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,2-difluoro-3-hydroxypropanoic acid 在 乙醇 、 copper(II) sulfate 作用下， 生成 2,2-二氟-3-羟基丙酸乙酯
  参考文献：
  名称：

  Coffman et al., Journal of Organic Chemistry, 1949, vol. 14, p. 751

  摘要：

  DOI：
• 作为产物：
  描述：

  3-ethoxy-2,2-difluoro-3-oxopropanoic acid 在 锂硼氢 、 水 作用下， 以 异丙醇 为溶剂， 生成 2,2-difluoro-3-hydroxypropanoic acid
  参考文献：
  名称：

  WO2024067811A1

  摘要：

  公开号：

文献信息

• Base reactive photoacid generators and photoresists comprising same
  申请人：Rohm and Haas Electronic Materials LLC

  公开号：EP2452932A2

  公开（公告）日：2012-05-16

  This invention relates to new photoacid generator compounds and photoresist compositions that comprise such compounds. In particular, the invention relates to photoacid generator compounds that comprise base-cleavable groups.

  本发明涉及新的光酸发生剂化合物和包含这种化合物的光刻胶组合物。具体而言，本发明涉及包含可基裂解基团的光酸发生剂化合物。
• BASE REACTIVE PHOTOACID GENERATORS AND PHOTORESISTS COMPRISING SAME
  申请人：AQAD Emad

  公开号：US20120129108A1

  公开（公告）日：2012-05-24

  This invention relates to new photoacid generator compounds and photoresist compositions that comprise such compounds. In particular, the invention relates to photoacid generator compounds that comprise base-cleavable groups.

  本发明涉及新的光酸发生剂化合物和包含这些化合物的光刻胶组成物。特别地，本发明涉及包含可被碱剪断基团的光酸发生剂化合物。
• Discovery of<i>N</i>-[(4<i>R</i>)-6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2<i>H</i>-pyrano[2,3-<i>b</i>]pyridin-4-yl]-5-methyl-1<i>H</i>-pyrazole-3-carboxamide (MK-5596) as a Novel Cannabinoid-1 Receptor (CB1R) Inverse Agonist for the Treatment of Obesity
  作者：Lin Yan、Pei Huo、John S. Debenham、Christina B. Madsen-Duggan、Julie Lao、Richard Z. Chen、Jing Chen Xiao、Chun-Pyn Shen、D. Sloan Stribling、Lauren P. Shearman、Alison M. Strack、Nancy Tsou、Richard G. Ball、Junying Wang、Xinchun Tong、Thomas J. Bateman、Vijay B. G. Reddy、Tung M. Fong、Jeffrey J. Hale

  DOI：10.1021/jm100023j

  日期：2010.5.27

  This paper describes the discovery of N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-5-methyl-1H-pyrazole-3-carboxamide (MK-5596, 12c) as a novel cannabinoid-1 receptor (CB1R) inverse agonist for the treatment of obesity. Structure activity relationship (SAR) studies of lead compound 3, which had off-target hERG (human ether-a-go-go related gene) inhibition activity, led to the identification of several compounds that not only had attenuated hERG inhibition activity but also were subject to glucuronidation in vitro providing the potential for multiple metabolic clearance pathways. Among them, pyrazole 12c was found to be a highly selective CB1R inverse agonist that reduced body weight and food intake in a DIO (diet-induced obese) rat model through a CB1R-mediated mechanism. Although 12c was a substrate of P-glycoprotein (P-gp) transporter, its high in vivo efficacy in rodents, good pharmacokinetic properties in preclinical species, good safety margins, and its potential for a balanced metabolism profile in man allowed for the further evaluation of this compound in the clinic.
• Fluorohydracrylic acids and their esters
  申请人：DU PONT

  公开号：US02452791A1

  公开（公告）日：1948-11-02
• WO2024098066A1
  申请人：——

  公开号：——

  公开（公告）日：——