摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

methyl 2-methyl-2-(2,3,5,6-tetrachloro-4-hydroxyphenoxy)propanoate

中文名称
——
中文别名
——
英文名称
methyl 2-methyl-2-(2,3,5,6-tetrachloro-4-hydroxyphenoxy)propanoate
英文别名
——
methyl 2-methyl-2-(2,3,5,6-tetrachloro-4-hydroxyphenoxy)propanoate化学式
CAS
——
化学式
C11H10Cl4O4
mdl
——
分子量
348.01
InChiKey
CARBMOQGFSOILJ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    4.6
  • 重原子数:
    19
  • 可旋转键数:
    4
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.36
  • 拓扑面积:
    55.8
  • 氢给体数:
    1
  • 氢受体数:
    4

反应信息

  • 作为产物:
    描述:
    2-Methyl-2-(2,3,5,6-tetrachloro-4-trimethylsilanyloxy-phenoxy)-propionic acid methyl ester 在 作用下, 生成 methyl 2-methyl-2-(2,3,5,6-tetrachloro-4-hydroxyphenoxy)propanoate
    参考文献:
    名称:
    电子转移vs。烯酮甲硅烷基缩醛与卤代对苯醌衍生物的亲核加成
    摘要:
    β,β-二甲基取代的烯酮甲硅烷基缩醛还原对氯苯醌以产生碳氧加合物,其水解产生相应的氢醌醚 (3)。3的结构已通过X射线晶体分析确定。另一方面,未取代的烯酮甲硅烷基缩醛与对氟苯胺的反应选择性地产生碳-碳加合物。基于动力学研究阐明了 CO 和 CC 键形成之间的机制差异。
    DOI:
    10.1246/cl.1993.1451
点击查看最新优质反应信息

文献信息

  • Quantification of the Ambident Electrophilicities of Halogen-Substituted Quinones
    作者:Xingwei Guo、Herbert Mayr
    DOI:10.1021/ja505613b
    日期:2014.8.13
    Kinetics and mechanisms of the reactions of p-quinone, 2,5-dichloro-p-quinone, 2,3,4,5-tetrachloro-p-quinone (chloranil), 2,3,4,5-tetrafluoro-p-quinone (fluoranil), and 3,4,5,6-tetrachloro-o-quinone with pi-nudeophiles (siloxyalkenes, enamines) and amines have been investigated. Products arising from nudeophilic attack at all conceivable sites, that is, at C and O of the carbonyl groups (pathways a, b) as well as at halogenated and nonhalogenated conjugate positions (pathways c, d), were observed. The partial rate constants for the C-attack pathways (a, c, d), which are derived from the photometrically determined second-order rate constants and the product ratios followed the linear free energy relationship log k (20 degrees C) = s(N)(E + (Mayr, H.; et al. J. Am. Chem. Soc. 2001, 123, 9500-9512). It was, therefore, possible to calculate the electrophilicity parameters E of the different positions of the quinones from log k (20 degrees C) and the N and s(N) parameters of the nucleophilic reaction partners, which have previously been derived from their reactions with benzhydrylium ions. Almost all rate constants for the C-attack pathways (a, c, d) were considerably larger than those calculated for the corresponding SET processes, indicating the operation of polar mechanisms. SET mechanisms may only account for the formation of the products formed via O-attack. With the E parameters determined in this work, it is now possible to predict rate constants for the reactions of these quinones with a large variety of nudeophiles and, thus, envisage unprecedented reactions of quinones.
  • Electron Transfer<i>vs</i>. Nucleophilic Addition of Ketene Silyl Acetals with Halogenated<i>p</i>-Benzoquinone Derivatives
    作者:Shunichi Fukuzumi、Morifumi Fujita、Gen-etsu Matsubayashi、Junzo Otera
    DOI:10.1246/cl.1993.1451
    日期:1993.8
    β-dimethyl-substituted ketene silyl acetal reduces p-chloranil to produce the carbon-oxygen adduct, the hydrolysis of which yields the corresponding hydro-quinone ether (3). The structure of 3 has been determined by the X-ray crystal analysis. On the other hand, the reaction of a nonsubstituted ketene silyl acetal with p-fluoranil yields the carbon-carbon adduct selectively. The mechanistic difference between
    β,β-二甲基取代的烯酮甲硅烷基缩醛还原对氯苯醌以产生碳氧加合物,其水解产生相应的氢醌醚 (3)。3的结构已通过X射线晶体分析确定。另一方面,未取代的烯酮甲硅烷基缩醛与对氟苯胺的反应选择性地产生碳-碳加合物。基于动力学研究阐明了 CO 和 CC 键形成之间的机制差异。
查看更多

同类化合物

(βS)-β-氨基-4-(4-羟基苯氧基)-3,5-二碘苯甲丙醇 (S)-(-)-7'-〔4(S)-(苄基)恶唑-2-基]-7-二(3,5-二-叔丁基苯基)膦基-2,2',3,3'-四氢-1,1-螺二氢茚 (S)-盐酸沙丁胺醇 (S)-3-(叔丁基)-4-(2,6-二甲氧基苯基)-2,3-二氢苯并[d][1,3]氧磷杂环戊二烯 (S)-2,2'-双[双(3,5-三氟甲基苯基)膦基]-4,4',6,6'-四甲氧基联苯 (S)-1-[3,5-双(三氟甲基)苯基]-3-[1-(二甲基氨基)-3-甲基丁烷-2-基]硫脲 (R)富马酸托特罗定 (R)-(-)-盐酸尼古地平 (R)-(+)-7-双(3,5-二叔丁基苯基)膦基7''-[((6-甲基吡啶-2-基甲基)氨基]-2,2'',3,3''-四氢-1,1''-螺双茚满 (R)-3-(叔丁基)-4-(2,6-二苯氧基苯基)-2,3-二氢苯并[d][1,3]氧杂磷杂环戊烯 (R)-2-[((二苯基膦基)甲基]吡咯烷 (N-(4-甲氧基苯基)-N-甲基-3-(1-哌啶基)丙-2-烯酰胺) (5-溴-2-羟基苯基)-4-氯苯甲酮 (5-溴-2-氯苯基)(4-羟基苯基)甲酮 (5-氧代-3-苯基-2,5-二氢-1,2,3,4-oxatriazol-3-鎓) (4S,5R)-4-甲基-5-苯基-1,2,3-氧代噻唑烷-2,2-二氧化物-3-羧酸叔丁酯 (4-溴苯基)-[2-氟-4-[6-[甲基(丙-2-烯基)氨基]己氧基]苯基]甲酮 (4-丁氧基苯甲基)三苯基溴化磷 (3aR,8aR)-(-)-4,4,8,8-四(3,5-二甲基苯基)四氢-2,2-二甲基-6-苯基-1,3-二氧戊环[4,5-e]二恶唑磷 (2Z)-3-[[(4-氯苯基)氨基]-2-氰基丙烯酸乙酯 (2S,3S,5S)-5-(叔丁氧基甲酰氨基)-2-(N-5-噻唑基-甲氧羰基)氨基-1,6-二苯基-3-羟基己烷 (2S,2''S,3S,3''S)-3,3''-二叔丁基-4,4''-双(2,6-二甲氧基苯基)-2,2'',3,3''-四氢-2,2''-联苯并[d][1,3]氧杂磷杂戊环 (2S)-(-)-2-{[[[[3,5-双(氟代甲基)苯基]氨基]硫代甲基]氨基}-N-(二苯基甲基)-N,3,3-三甲基丁酰胺 (2S)-2-[[[[[[((1R,2R)-2-氨基环己基]氨基]硫代甲基]氨基]-N-(二苯甲基)-N,3,3-三甲基丁酰胺 (2-硝基苯基)磷酸三酰胺 (2,6-二氯苯基)乙酰氯 (2,3-二甲氧基-5-甲基苯基)硼酸 (1S,2S,3S,5S)-5-叠氮基-3-(苯基甲氧基)-2-[(苯基甲氧基)甲基]环戊醇 (1-(4-氟苯基)环丙基)甲胺盐酸盐 (1-(3-溴苯基)环丁基)甲胺盐酸盐 (1-(2-氯苯基)环丁基)甲胺盐酸盐 (1-(2-氟苯基)环丙基)甲胺盐酸盐 (-)-去甲基西布曲明 龙胆酸钠 龙胆酸叔丁酯 龙胆酸 龙胆紫 龙胆紫 齐达帕胺 齐诺康唑 齐洛呋胺 齐墩果-12-烯[2,3-c][1,2,5]恶二唑-28-酸苯甲酯 齐培丙醇 齐咪苯 齐仑太尔 黑染料 黄酮,5-氨基-6-羟基-(5CI) 黄酮,6-氨基-3-羟基-(6CI) 黄蜡,合成物 黄草灵钾盐