2-chloromethyl-2-p-tolyl-1,3-dioxolane | 77873-17-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-chloromethyl-2-p-tolyl-1,3-dioxolane
• 英文别名: 2-chloromethyl-2-p-tolyl-1,3-dioxolan；2-(Chloromethyl)-2-(4-methylphenyl)-1,3-dioxolane
• CAS: 77873-17-7
• 化学式: C₁₁H₁₃ClO₂
• 分子量: 212.676
• InChiKey: OZSGXZZKXWPJRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(p-tolyl)-2-methyl-1,3-dioxolane 在 氯化亚砜 、 过氧化氢苯甲酰 作用下， 以77%的产率得到2-chloromethyl-2-p-tolyl-1,3-dioxolane
  参考文献：
  名称：

  溶液中的自由基反应。第6部分。溶液中取代的二苄基汞的热分解。改进的σ˙量表

  摘要：

  在126–156°的温度范围内测定了十种取代的二苄基汞化合物在溶液中的分解动力学。从140.2°的相对速率，得出适用于自由基反应的新的取代基常数σ˙。七个取代的苄基的Esr光谱显示出α–CH 2与σ˙的合理相关性。

  DOI：

  10.1039/p29810001121

文献信息

• A Safe, Convenient and Efficient One-Pot Synthesis of α-Chloroketone Acetals Directly from Ketones Using Iodobenzene Dichloride
  作者：Chi Zhang、Jun Yu

  DOI：10.1055/s-0029-1216856

  日期：2009.7

  aliphatic and aromatic ketones, can be directly converted into their corresponding α-chloroketone acetals in high to excellent yields using iodobenzene dichloride in ethylene glycol in the presence of 4 Å molecular sieves at room temperature. ketones - iodobenzene - dichloride - halogenation - hypervalent iodine - acetals

  在室温下，使用4Å分子筛，在乙二醇中使用二氯化碘代苯，可以将各种酮（包括脂肪族和芳香族酮）直接高产率地转化为相应的α-氯酮缩醛。 酮-碘苯-二氯化物-卤化-高价碘-乙缩醛
• PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND
  申请人：Ishii Yutaka

  公开号：US20110288315A1

  公开（公告）日：2011-11-24

  A 2-aryl-2-halomethyl-4-chloromethyl-1,3-dioxolane (A) can be produced conveniently without decreasing its optical purity by reacting an optically active monochlorohydrin and an aryl (halomethyl) ketone (starting materials) with each other in the presence of an acid catalyst. From the optically active compound (A) thus produced, an optically active carboxylic acid (2-aryl-2-halomethyl-1,3-dioxolan-4-yl)methyl ester and an optically active sulfonic acid (2-aryl-2-halomethyl-1,3-dioxolan-4-yl)methyl ester (both of which are useful intermediates for the production of ketoconazole) can be produced with good efficiency. An optically active trans-carboxylic acid (2-aryl-2-halomethyl-1,3-dioxolan-4-yl)methyl ester can be isomerized into its cis-form in the presence of an acid catalyst.
• Free radical reactions in solution. Part 6. Thermal decomposition of substituted dibenzyl mercurials in solution. An improved σ˙ scale
  作者：Suphi Dinçtürk、Richard A. Jackson、Michael Townson、Hikmet Aǧirbaş、Norman C. Billingham、Gary March

  DOI：10.1039/p29810001121

  日期：——

  The kinetics of the decomposition of ten substituted dibenzylmercury compounds in solution have been determined in the temperature range 126–156°. From the relative rates at 140.2°, a new scale of substituent constants σ˙ applicable to free radical reactions is derived. E.s.r. spectra for seven substituted benzyl radicals show a reasonable correlation of aα–CH2 with σ˙.

  在126–156°的温度范围内测定了十种取代的二苄基汞化合物在溶液中的分解动力学。从140.2°的相对速率，得出适用于自由基反应的新的取代基常数σ˙。七个取代的苄基的Esr光谱显示出α–CH 2与σ˙的合理相关性。