[2-(乙酰氧基甲基)-3-羟基-2-(羟甲基)丙基]乙酸酯 | 5419-74-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: [2-(乙酰氧基甲基)-3-羟基-2-(羟甲基)丙基]乙酸酯
• 英文名称: Di-O-acetyl-pentaerythrit
• 英文别名: Pentaerythritoldiacetat；Pentaerythrol-diacetat；pentaerythritol bisacetate；pentaerythritol diacetate；2,2-bis-acetoxymethyl-propane-1,3-diol；2,2-Bis-acetoxymethyl-propan-1,3-diol；2,2-Bis(hydroxymethyl)propane-1,3-diyl diacetate；[2-(acetyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] acetate
• CAS: 5419-74-9
• 化学式: C₉H₁₆O₆
• 分子量: 220.222
• InChiKey: SMWVKLFSRAUNLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  15
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [2-(乙酰氧基甲基)-3-羟基-2-(羟甲基)丙基]乙酸酯 在 磷化氢 、 氯仿 作用下， 生成 [2-(乙酰氧基甲基)-3-溴-2-(溴甲基)丙基]乙酸酯
  参考文献：
  名称：

  Slobodin; Schochor, Zhurnal Obshchei Khimii, 1951, vol. 21, p. 2001,2003; engl. Ausg. S. 2225, 2228

  摘要：

  DOI：
• 作为产物：
  描述：

  季戊四醇 生成 [2-(乙酰氧基甲基)-3-羟基-2-(羟甲基)丙基]乙酸酯
  参考文献：
  名称：

  BANKAR N. S.; CHAUDHARI P. N.; KULKARNI G. H., INDIAN J. CHEM. , 1975, 13, NO 9, 986-987

  摘要：

  DOI：

文献信息

• DINUCLEOTIDE COMPOUNDS FOR HCV INFECTION
  申请人：IDENIX PHARMACEUTICALS, INC.

  公开号：US20140112886A1

  公开（公告）日：2014-04-24

  Provided herein are compounds, compositions and methods for the treatment of Flaviviridae infections, including HCV infections. In certain embodiments, compounds and compositions of nucleoside derivatives are disclosed, which can be administered either alone or in combination with other anti-viral agents. In certain embodiments, the compounds comprise two 2′-methyl nucleotides linked according to Formula I: N 1 -L-N 2 (I) or a pharmaceutically acceptable salt, ester, solvate, stereoisomer, isomeric form, tautomeric form or polymorphic form thereof; wherein N 1 , L and N 2 are as described herein.

  本文提供了用于治疗黄病毒科感染，包括HCV感染的化合物、组合物和方法。在某些实施方式中，披露了核苷类衍生物的化合物和组合物，可以单独或与其他抗病毒药物联合给药。在某些实施方式中，所述化合物包括根据以下式I连接的两个2'-甲基核苷酸：N1-L-N2(I)或其药学上可接受的盐、酯、溶剂合物、立体异构体、同分异构体、互变异构体或其多形形式；其中N1、L和N2如本文所述。
• Fatty acid ester of etherified polyhydric alcohol
  申请人：Kao Corporation

  公开号：US05932755A1

  公开（公告）日：1999-08-03

  The present invention relates to a fatty acid ester of an etherified polyhydric alcohol represented by the following general formula (1), a production process thereof, a cosmetic composition comprising this compound, and a production process of an etherified polyhydric alcohol via the ester. G(A).sub.x (B).sub.y (1) (G: a residue formed by removing H atoms of all the OH groups of a polyhydric alcohol having at least three OH groups, A: --CH.sub.2 CH(OH)R or --CHRCH.sub.2 OH, R.sup.1 : R.sup.1a or --CH.sub.2 OR.sup.1a (R.sup.1a : C.sub.1 -C.sub.36 alkyl or alkenyl group), B: H or C.sub.1 -C.sub.11 acyl group, x+y: the number of the OH groups of G, x.gtoreq.1, y.gtoreq.1, and at least one of y groups B: alkanoyl group). The compound (1) is not only useful as an intermediate for the production of an etherified polyhydric alcohol, but also excellent per se in the performance as a cosmetic base, emulsifier, lubricant, oily component and the like.

  本发明涉及以下一般式（1）所表示的醚化多羟醇的脂肪酸酯、其生产方法、包含该化合物的化妆品组合物以及通过酯化制备醚化多羟醇的生产方法。G(A).sub.x (B).sub.y (1)（其中，G：由至少具有三个羟基的多羟醇的所有羟基的氢原子去除而形成的残基，A：--CH.sub.2 CH(OH)R或--CHRCH.sub.2 OH，R.sup.1：R.sup.1a或--CH.sub.2 OR.sup.1a（R.sup.1a：C.sub.1 -C.sub.36烷基或烯基），B：H或C.sub.1 -C.sub.11酰基，x+y：G的羟基数，x≥1，y≥1，并且至少有一个y个B基团：烷酰基）。该化合物（1）不仅可作为制备醚化多羟醇的中间体，而且在化妆品基料、乳化剂、润滑剂、油性成分等方面本身也具有优异性能。
• Acrylated diols
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0309248A2

  公开（公告）日：1989-03-29

  Polymerizable esters of 2,2-bis(hydroxymethyl)-1,3-propanediol with acrylic and methacrylic acids and mixtures of acrylic or methacrylic acid and other organic carboxylic acids are disclosed. Polymers of these esters and mixture of esters are crosslinkable and useful in many applications, particularly in protective coatings.

  本发明公开了 2,2-双（羟甲基）-1,3-丙二醇与丙烯酸和甲基丙烯酸的可聚合酯，以及丙烯酸或甲基丙烯酸与其他有机羧酸的混合物。这些酯类和酯类混合物的聚合物可交联，可用于多种用途，特别是保护涂层。
• Retention Indices and Sorption Enthalpies of Pentaerythritol and С2–С8 Acid Esters on Nonpolar Stationary Phases
  作者：V. V. Emel’yanov、E. L. Krasnykh、S. V. Portnova

  DOI：10.1134/s003602442010009x

  日期：2020.10

  The retention and sorption enthalpy characteristics of 38 pentaerythritol esters of C-2-C(8)carboxylic acids of different structures were determined by gas-liquid chromatography on a nonpolar phase in the temperature range 433.2-563.2 K. The molecular structure was shown to affect the temperature dependence of the retention indices of the esters. The average change in the sorption enthalpy of pentaerythritol tetraesters per CH(2)group is lower in magnitude than the similar contribution for normal alkanes. The excess mixing enthalpy at 298.2 K was evaluated for four fully substituted pentaerythritol esters.
• Polyhydric alcohol esters
  申请人：HEYDEN CHEMICAL CORP

  公开号：US02356745A1

  公开（公告）日：1944-08-29