2,2-bis(acetoxymethyl)propionic acid chloride | 17872-59-2

• 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
• 英文名称: 2,2-bis(acetoxymethyl)propionic acid chloride
• 英文别名: 2,2-bis-acetoxymethylpropionyl chloride；2,2-bis(acetoxymethyl)propanoic acid chloride；2,2-diacetoxymethylpropionyl chloride；2,2-DI(Acetoxymethyl)propionyl chloride；[2-(acetyloxymethyl)-3-chloro-2-methyl-3-oxopropyl] acetate
• CAS: 17872-59-2
• 化学式: C₉H₁₃ClO₅
• 分子量: 236.652
• InChiKey: ZZNTYUTVZBEQIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2915900090

反应信息

• 作为反应物：
  描述：

  2,2-bis(acetoxymethyl)propionic acid chloride 在 palladium on activated charcoal 4-二甲氨基吡啶 、 氢气 、 三乙胺 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 3-(3-Acetoxy-2-acetoxymethyl-2-methyl-propionyloxy)-2-(3-acetoxy-2-acetoxymethyl-2-methyl-propionyloxymethyl)-2-methyl-propionic acid
  参考文献：
  名称：

  Synthesis, Characterization, and ¹H NMR Self-Diffusion Studies of Dendritic Aliphatic Polyesters Based on 2,2-Bis(hydroxymethyl)propionic Acid and 1,1,1-Tris(hydroxyphenyl)ethane

  摘要：

  Dendritic aliphatic polyesters of one, two, three, and four generations (M(w): 906, 1856, 3754, and 7549 g/mol) were synthesized in the convergent fashion, using 2,2-bis(hydroxymethyl)propionic acid as building block and 1,1,1-tris(hydroxyphenyl)ethane as core molecule. Dendrons of one to four generations were synthesized from the building block and in a final step coupled to the core molecule. The focal point of the dendrons was protected by a benzyl ester group and deprotected by catalytic hydrogenolysis. The esterifications were performed by conversion of the acid into the corresponding acid chloride and followed by reaction of the acid chloride with the hydroxyl groups in the presence of triethylamine and dimethylaminopyridine. The simplicity of the H-1-NMR and C-13-NMR spectras and elemental analyses suggest that pure and monodisperse dendrimers were obtained. Molecular selfdiffusion studies of first, second, third, and fourth generation dendrimers were performed, in chloroform, using pulsed-field spin echo H-1 NMR spectroscopy. The self-diffusion coefficients were calculated with the standard form of the Stejskal-Tanner equation. The effective radii of the dendrimers were estimated from the diffusion coefficients by assuming a spherical geometry for all dendrimers. The radii obtained were 7.8, 10.3, 12.6, and 17.1 Angstrom for the first, second, third, and fourth generation dendrimer, respectively.

  DOI：

  10.1021/ja954171t
• 作为产物：
  描述：

  2,2-二羟甲基丙酸 在 4-二甲氨基吡啶 、 草酰氯 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 生成 2,2-bis(acetoxymethyl)propionic acid chloride
  参考文献：
  名称：

  Synthesis, Characterization, and ¹H NMR Self-Diffusion Studies of Dendritic Aliphatic Polyesters Based on 2,2-Bis(hydroxymethyl)propionic Acid and 1,1,1-Tris(hydroxyphenyl)ethane

  摘要：

  Dendritic aliphatic polyesters of one, two, three, and four generations (M(w): 906, 1856, 3754, and 7549 g/mol) were synthesized in the convergent fashion, using 2,2-bis(hydroxymethyl)propionic acid as building block and 1,1,1-tris(hydroxyphenyl)ethane as core molecule. Dendrons of one to four generations were synthesized from the building block and in a final step coupled to the core molecule. The focal point of the dendrons was protected by a benzyl ester group and deprotected by catalytic hydrogenolysis. The esterifications were performed by conversion of the acid into the corresponding acid chloride and followed by reaction of the acid chloride with the hydroxyl groups in the presence of triethylamine and dimethylaminopyridine. The simplicity of the H-1-NMR and C-13-NMR spectras and elemental analyses suggest that pure and monodisperse dendrimers were obtained. Molecular selfdiffusion studies of first, second, third, and fourth generation dendrimers were performed, in chloroform, using pulsed-field spin echo H-1 NMR spectroscopy. The self-diffusion coefficients were calculated with the standard form of the Stejskal-Tanner equation. The effective radii of the dendrimers were estimated from the diffusion coefficients by assuming a spherical geometry for all dendrimers. The radii obtained were 7.8, 10.3, 12.6, and 17.1 Angstrom for the first, second, third, and fourth generation dendrimer, respectively.

  DOI：

  10.1021/ja954171t

文献信息

• Contrast media
  申请人：Amersham Health AS

  公开号：US06448442B1

  公开（公告）日：2002-09-10

  The invention provides low viscosity iodinated aryl compounds, useful as X-ray contrast agents of formula I wherein n is 0 or 1, and where n is 1 each C6R5 moiety may be the same or different; X denotes a bond or a group providing a 1 to 7 atom chain linking two C6R5 moieties or, where n is 0, X denotes a group R; each group R is a hydrogen atom, an iodine atom or a hydrophilic moiety M or M1, two or three non-adjacent R groups in each C6R5 moiety being iodine and at least one R group in each C6R5 moiety being an M or M1 moiety; each M which may be the same or different, is a non-ionic hydrophilic moiety; and each M1 independently represents a —CHOHCON(R1)2 group wherein each R1, which may be the same or different, is a hydrogen atom, an OH group or a C1-6 alkoxy or optionally hydroxylated C1-5 alkyl group; at least one R group in the molecule being an M1 moiety; and isomers thereof.

  该发明提供了低粘度碘化芳基化合物，作为公式I的X射线造影剂，其中n为0或1，当n为1时，每个C6R5基团可以相同也可以不同；X表示连接两个C6R5基团的1至7个原子链的键或基团，或者当n为0时，X表示基团R；每个基团R是氢原子、碘原子或亲水基团M或M1，每个C6R5基团中的两个或三个非相邻的R基团为碘，且每个C6R5基团中至少一个R基团为M或M1基团；每个M可以相同也可以不同，是非离子性亲水基团；每个M1独立地表示一个—CHOHCON(R1)2基团，其中每个R1可以相同也可以不同，是氢原子、羟基或C1-6烷氧基或选择性羟基化的C1-5烷基基团；分子中至少一个R基团为M1基团；以及其异构体。
• Iodinated x-ray contrast media
  申请人：Nycomed Imaging AS

  公开号：US06310243B1

  公开（公告）日：2001-10-30

  The invention provides low viscosity iodinated aryl compounds, useful as X-ray contrast agents, of formula C6R6 wherein three non-adjacent R groups are iodine and the remaining R groups are non-ionic, hydrophilic moieties, said compound being water soluble at 20° C. to a concentration of at least 350 mgl/ml and which in aqueous solution at 20° C. at a concentration of 350 mgl/ml has a viscosity no greater than 13.8 mPas.

  该发明提供了低粘度碘化芳基化合物，可用作X射线造影剂，其化学式为C6R6，其中三个非相邻的R基团为碘，其余的R基团为非离子、亲水基团，所述化合物在20°C时可溶于水，浓度至少为350 mgl/ml，在20°C时在水溶液中浓度为350 mgl/ml时，粘度不大于13.8 mPas。
• A General Approach to Quaternary Center Construction from Couplings of Unactivated Alkenes and Acyl Xanthates
  作者：Ernest N. Jenkins、William L. Czaplyski、Erik J. Alexanian

  DOI：10.1021/acs.orglett.7b00882

  日期：2017.5.5

  to quaternary center construction using unactivated alkenes as coupling partners is reported. In this strategy, acyl xanthates, readily accessed from carboxylic acids, serve as precursors to tertiary radicals. This strategy leverages the unique reactivity of xanthates to participate in efficient radical-mediated additions to unactivated alkenes, expanding the scope of quaternary center construction

  据报道，使用未活化的烯烃作为偶合伙伴的，由自由基介导的四元中心构建的一般方法。在这种策略中，容易从羧酸中获得的酰基黄药作为叔自由基的前体。该策略利用了黄药的独特反应性，以有效地将自由基介导的加成物加到未活化的烯烃中，从而扩大了季铵盐中心的建设范围。
• Polyurea and polyurethane compounds containing a photographically useful
  申请人：Agfa-Gevaert AG

  公开号：US04762777A1

  公开（公告）日：1988-08-09

  Photographically useful compounds, i.e. in the present context compounds which, under development conditions, chemically react imagewise, after imagewise exposure, to produce desired reaction products in imagewise distribution, may be incorporated in the layers of photographic recording materials in the form of aqueous dispersions of polyurea or polyurethane compounds containing recurring structural units corresponding to the following formula: Q(--Y).sub.n I in which Q represents the residue of the photographically useful compound; the other symbos are as defined in the specification.

  在摄影上有用的化合物，即在开发条件下，在成像曝光后，化学反应成为想要的反应产物的成像分布，可以以聚氨酯或聚氨基甲酸酯化合物的水分散形式，包含与以下公式相应的重复结构单元的层中，这个公式为：Q(--Y).sub.n I，其中Q代表摄影上有用的化合物的残留物；其他符号如规范所定义。
• Photographic material and process for retouching dye images
  申请人：EASTMAN KODAK COMPANY

  公开号：EP0438825A1

  公开（公告）日：1991-07-31

  A method of retouching a dye image comprises selective removal with an aqueous acidic organic solvent solution of a portion of a dye image from an exposed and processed photographic silver halide element comprising a support bearing a dye image from a dye-forming coupler and a primary amine photographic color developing agent, wherein the dye-forming coupler: (a) contains no ionizable group that is retained as part of a dye formed upon oxidative coupling, (b) has a structure such that its octanol/water partition coefficient, P, has a value such that Log P of the coupler is greater than 4 and is derived from a four-equivalent coupler that has a Log P less than 8, and (c) has a coupling reactivity that enables formation of maximum image density of at least 0.6. The method comprises the step of contacting the dye image with an aqueous acidic organic solvent solution for a time and at a temperature sufficient to selectively dissolve and remove a portion of the dye image from the photographic element. A new photographic element designed for such retouching comprises new pyrazolotriazole couplers.

  一种修饰染料图像的方法，包括用酸性有机溶剂水溶液选择性地去除已曝光和处理过的照相卤化银元件上的部分染料图像，该元件包括承载染料图像的支座，染料形成耦合剂和伯胺照相显色剂，其中染料形成耦合剂：(a) 不含有在氧化偶联时作为染料的一部分保留下来的可电离基团， (b) 具有这样的结构，即其辛醇/水分配系数 P 具有这样的值，即该偶联剂的对数 P 大于 4，并且是从对数 P 小于 8 的四当量偶联剂衍生而来，以及 (c) 具有这样的偶联反应性，即能够形成至少 0.5%的最大图像密度。6.该方法包括以下步骤：将染料图像与酸性有机溶剂水溶液接触，接触时间和温度足以选择性地溶解并从感光元件中去除部分染料图像。为这种修饰而设计的新型感光元件包括新型吡唑三唑偶联剂。