Propanoic acid, 2-methyl-, 2-oxopropyl ester | 166945-46-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Propanoic acid, 2-methyl-, 2-oxopropyl ester
• 英文别名: 2-oxopropyl 2-methylpropanoate
• CAS: 166945-46-6
• 化学式: C₇H₁₂O₃
• mdl: MFCD24387990
• 分子量: 144.17
• InChiKey: JRVQGARZYXFEKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  异腈基正丁烷 、 Propanoic acid, 2-methyl-, 2-oxopropyl ester 、 N-苄氧羰基甘氨酸 生成
  参考文献：
  名称：

  多组分反应设计：一锅法从α-重氮酮中取代二O-酰基甘油酰胺

  摘要：

  由α-二氮杂酮开发了取代的二-O-酰基甘油酸酰胺的四组分组装体。该方法涉及α-重氮酮与羧酸的铜催化反应，以及随后就地形成的α-酰氧基酮的Passerini缩合。

  DOI：

  10.1016/j.tetlet.2008.07.167
• 作为产物：
  描述：

  [2-methylpropanoyloxy(2-oxopropyl)thallanyl] 2-methylpropanoate 以60%的产率得到
  参考文献：
  名称：

  GUNKIN, I. F.;IDELEVICH, A. I.;BUTIN, K. P., METALLOORGAN. XIMIYA, 3,(1990) N, S. 602-608

  摘要：

  DOI：

文献信息

• Studies on the Chemistry and Reactivity of α-Substituted Ketones in Isonitrile-Based Multicomponent Reactions
  作者：Lijun Fan、Ashley M. Adams、Jason G. Polisar、Bruce Ganem

  DOI：10.1021/jo8019708

  日期：2008.12.19

  Using the Passerini and Ugi reactions as representative tests, the utility of several alpha-substituted ketones R-CO-CH(2)-X (X = sulfonyloxy, acyloxy, azido, halo, hydroxy, and sulfonyl) in isonitrile-based multicomponent reactions was explored. In a relative rate study (R = PhCH(2)CH(2)), each of the alpha-substituted ketones underwent Passerini condensation more rapidly than the parent ketone. Short

  使用Passerini和Ugi反应作为代表性测试，在基于异腈的多组分反应中使用几种α-取代的酮R-CO-CH（2）-X（X =磺酰氧基，酰氧基，叠氮基，卤素，羟基和磺酰基）被探索了。在相对速率研究中（R = PhCH（2）CH（2）），每个α-取代的酮比亲代酮经历Passerini缩合的速度更快。开发了短而高度收敛的恶唑啉，β-内酰胺，二-O-酰基甘油酰胺和其他分子框架的途径。
• CYCLOALKYL-FUSED TETRAHYDROQUINOLINES AS CRTH2 RECEPTOR MODULATORS
  申请人：Huang Xianhai

  公开号：US20120329743A1

  公开（公告）日：2012-12-27

  The invention provides certain cycloalkyl-fused tetrahydroquinolines of the Formula (I), and their pharmaceutically acceptable salts and esters, wherein R 1 , R 2 , R 7 , R 8 , R 8a , E, Y, Z, n, u, and t are as defined herein. The invention also provides pharmaceutical compositions comprising such compounds, and methods of using the compounds for treating diseases or conditions associated with uncontrolled or inappropriate stimulation of CRTH 2 function.

  本发明提供了一些公式（I）的环烷基融合四氢喹啉，以及其药学上可接受的盐和酯，其中R1、R2、R7、R8、R8a、E、Y、Z、n、u和t的定义如本文所述。本发明还提供了包含这些化合物的制药组合物，以及使用这些化合物治疗与CRTH2功能不受控制或不适当刺激相关的疾病或症状的方法。
• Disperse azo dyes, a process for the preparation thereof and the use thereof
  申请人：Huntsman International LLC

  公开号：US10023742B2

  公开（公告）日：2018-07-17

  The present invention relates to azo dyes of formula wherein R1 denotes C1-C12 alkyl which is unsubstituted or substituted by one or more C1-C12 alkoxy groups, hydroxyl groups, amino groups, cyano groups or halogen atoms and which may be interrupted one or more times by the radical —O—, —S—, —NR4—, —COO— or —OOC—; R4 is hydrogen or C1-C12 alkyl; either R2 is cyano and R3 is halogen or R2 is halogen and R3 is cyano; and Ar represents a carbocyclic or heterocyclic aromatic radical, to the process for the preparation thereof, to mixtures containing said dyes and to the use thereof in dyeing or printing semi-synthetic and especially synthetic hydrophobic fiber materials, more especially textile materials.

  本发明涉及式如下的偶氮染料 式中 R1 表示未被取代或被一个或多个 C1-C12 烷氧基、羟基、氨基、氰基或卤素原子取代的 C1-C12 烷基，且可被基团 -O-、-S-、-NR4-、-COO- 或 -OOC- 中断一次或多次； R4 是氢或 C1-C12 烷基； R2 是氰基，R3 是卤素，或者 R2 是卤素，R3 是氰基；以及 Ar 代表碳环或杂环芳香基、 其制备工艺，含有上述染料的混合物，以及其在半合成，特别是合成疏水性纤维材料，尤其是纺织材料的染色或印花中的用途。
• Disperse Azo Dyes, A Process for the Preparation Thereof and the Use Thereof
  申请人：Huntsman International LLC

  公开号：US20150197637A1

  公开（公告）日：2015-07-16

  The present invention relates to azo dyes of formula (1), wherein R 1 denotes C 1 -C 12 alkyl which is unsubstituted or substituted by one or more C 1 -C 12 alkoxy groups, hydroxyl groups, amino groups, cyano groups or halogen atoms and which may be interrupted one or more times by the radical —O—, —S—, —COO— or —OOC—: R 4 is hydrogen or C 1 -C 12 alkyl; either R 2 is cyano and R 3 is halogen or R 2 is halogen and R 3 is cyano; and Ar represents a carbocyclic or heterocyclic aromatic radical, to the process for the preparation thereof, to mixtures containing said dyes and to the use thereof in dyeing or printing semi-synthetic and especially synthetic hydrophobic fibre materials, more especially textile materials.
• US9376570B2
  申请人：——

  公开号：US9376570B2

  公开（公告）日：2016-06-28