3-乙酰氧基丙基甲基二氯硅烷 | 5290-24-4

• 物质功能分类: 化学试剂 - 硅烷试剂
• 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: 3-乙酰氧基丙基甲基二氯硅烷
• 中文别名: 乙酰氧基丙基甲基二氯硅烷
• 英文名称: (3-acetoxy-propyl)-dichloro-methyl-silane
• 英文别名: (3-Acetoxy-propyl)-dichlor-methyl-silan；3-(dichloromethylsilyl)propyl acetate；3-acetoxypropylmethyldichlorosilane；Essigsaeure-<3-(dichlor-methyl-silyl)-propylester>；Dichlor-methyl-(3-acetoxy-propyl)-silan；3-(Dichloro(methyl)silyl)propyl acetate；3-[dichloro(methyl)silyl]propyl acetate
• CAS: 5290-24-4
• 化学式: C₆H₁₂Cl₂O₂Si
• mdl: MFCD00053905
• 分子量: 215.152
• InChiKey: CNWZDXMFPRCFFL-UHFFFAOYSA-N

物化性质

• 熔点：
  <0°C
• 沸点：
  98 °C
• 密度：
  1.289
• 闪点：
  85°C
• 稳定性/保质期：
  在常温常压下保持稳定

计算性质

• 辛醇/水分配系数(LogP)：
  0.99
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• TSCA：
  Yes
• 安全说明：
  S26,S36,S37,S39
• 危险类别码：
  R34
• 危险品运输编号：
  UN 2987
• 海关编码：
  2931900090
• 储存条件：
  常温、避光、阴凉干燥处，密封保存。

反应信息

• 作为反应物：
  描述：

  3-乙酰氧基丙基甲基二氯硅烷 、 甲基氯化镁 以 乙醚 为溶剂， 生成 3-(三甲硅基)-1-丙醇
  参考文献：
  名称：

  Relative reactivity of ?-trialkysilyl substituted alcohols and mercaptans with phenylisocyanates

  摘要：

  DOI：

  10.1007/bf00907745
• 作为产物：
  描述：

  甲基二氯硅烷 、 乙酸烯丙酯 在 dihydrogen hexachloroplatinate 作用下， 以 四氢呋喃 为溶剂， 生成 3-乙酰氧基丙基甲基二氯硅烷
  参考文献：
  名称：

  Oxametallacycloalcanes

  摘要：

  DOI：

  10.1016/s0022-328x(00)87015-1

文献信息

• Compound having silsesquioxane skeleton and its polymer
  申请人：Inagaki Jyun-ichi

  公开号：US20050009982A1

  公开（公告）日：2005-01-13

  The present invention relates to a compound represented by Formula (1) and a polymer obtained using the compound: wherein R 1 is phenyl which may have substituents, Q 1 is hydrogen, halogen, alkyl having 1 to 10 carbon atoms, cyclopropyl, cyclobutyl, cyclopentyl, cyclohexyl, cyclohexenyl or phenyl in which optional hydrogen may be replaced by halogen or alkyl having 1 to 5 carbon atoms, and Q 2 is a group represented by Formula (2) wherein the code < represents a bonding point with silicon, l, m, n and p are independently 0, 1, 2 or 3, A 1 to A 4 are independently a single bond, 1,4-cyclohexylene, 1,4-cyclohexenylene, a condensed ring group having 6 to 10 carbon atoms which is a divalent group, or 1,4-phenylene, Z 0 to Z 3 are independently a single bond, —CH═CR—, —C≡C—, —COO—, —OCO—, or alkylene having 1 to 20 carbon atoms, and Z 4 is a single bond, —CH═CH—, —C≡C—, —COO—, —OCO—, or alkylene having 1 to 20 carbon atoms. And Y 1 in Formula (1) is the group defined in Claim 1.

  本发明涉及一种由式（1）表示的化合物和使用该化合物获得的聚合物：其中R1是苯基，可能具有取代基；Q1是氢、卤素、具有1至10个碳原子的烷基、环丙基、环丁基、环戊基、环己基、环己烯基或苯基，其中可选的氢原子可被卤素或具有1至5个碳原子的烷基取代；Q2是由式（2）表示的基团，其中代码<表示与硅的连接点，l、m、n和p独立地为0、1、2或3，A1至A4独立地为单键、1,4-环己亚基、1,4-环己烯亚基、具有6至10个碳原子的缩合环基团，为二价基团，或1,4-苯亚基，Z0至Z3独立地为单键、—CH═CR—、—C≡C—、—COO—、—OCO—或具有1至20个碳原子的烷基，Z4为单键、—CH═CH—、—C≡C—、—COO—、—OCO—或具有1至20个碳原子的烷基。式（1）中的Y1是权利要求1中定义的基团。
• Cavitands with inwardly and outwardly directed functional groups
  作者：Mao Kanaura、Kouhei Ito、Michael P. Schramm、Dariush Ajami、Tetsuo Iwasawa

  DOI：10.1016/j.tetlet.2015.06.072

  日期：2015.8

  The synthesis of novel triquinoxaline-spanned cavitands with selectively oriented functional groups is described. In one instance a pyridine N-oxide functionalized cavitand was prepared as an exclusive isomer. We investigated its reactivity and formation of host–guest complexes. These imply that electronic aspects may influence guest inclusion and reaction progress more than steric details.

  描述了具有选择性取向的官能团的新型三喹喔啉跨膜空泡的合成。在一个实例中，将吡啶N-氧化物官能化的空泡石制备为排他性异构体。我们研究了其反应性和宿主-客体复合物的形成。这些暗示着电子方面可能比空间细节更多地影响客人的参与和反应进程。
• Mechanistic insights into the hydrosilylation of allyl compounds – Evidence for different coexisting reaction pathways
  作者：Peter Gigler、Markus Drees、Korbinian Riener、Bettina Bechlars、Wolfgang A. Herrmann、Fritz E. Kühn

  DOI：10.1016/j.jcat.2012.06.006

  日期：2012.11

  The hydrosilylation of allyl compounds is often accompanied by the formation of high amounts of byproducts. The formation processes have not been fully understood so far. In this work, the allyl hydrosilylation mechanism is investigated in detail and experimental and theoretical evidence for multiple, coexisting reaction pathways is provided. Based on earlier reports and the observations during an extensive catalytic study, different pathways, leading to the observed byproducts, were identified and proven by labeling experiments and DFT calculations. Oxidative addition of the silane and the insertion of the allyl compound into the Pt-H bond turned out to be the crucial, selectivity-determining steps within the catalytic cycle. Based on these findings, it should be possible to systematically influence these steps and pave the way to a rational and straightforward design of more selective catalysts. (C) 2012 Published by Elsevier Inc.
• Freidlina,R.Kh.; Chukovskaya,E.Ts., Doklady Chemistry, 1963, vol. 150, # 5, p. 494 - 497
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  日期：——
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