4-氯-3-甲基苯基二氯磷酸酯 | 775-13-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-氯-3-甲基苯基二氯磷酸酯
• 英文名称: 4-chloro-3-methylphenyl dichlorophosphate
• 英文别名: phosphorodichloridic acid 4-chloro-3-methyl-phenyl ester；dichlorophosphoric acid-(4-chloro-3-methyl-phenyl ester)；Dichlorophosphorsaeure-(4-chlor-3-methyl-phenylester)；(4-Chlor-3-methyl-phenyl)-dichlorophosphat；Phosphorsaeure-(4-chlor-3-methyl-phenylester)-dichlorid；Phosphorodichloridic acid, 4-chloro-3-methylphenyl ester；1-chloro-4-dichlorophosphoryloxy-2-methylbenzene
• CAS: 775-13-3
• 化学式: C₇H₆Cl₃O₂P
• 分子量: 259.456
• InChiKey: GVQPWYNTNMBMSS-UHFFFAOYSA-N

物化性质

• 沸点：
  95 °C(Press: 0.1 Torr)
• 密度：
  1.507±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-氯-3-甲基苯基二氯磷酸酯 在 盐酸 作用下， 生成 phosphoric acid-(4-chloro-3-methyl-phenyl ester)-methyl ester; sodium-salt
  参考文献：
  名称：

  The Synthesis of Alkyl Aryl Phosphates from Aryl Phosphorochloridates. I. The Sodium Alkoxide Route¹

  摘要：

  DOI：

  10.1021/ja01536a052
• 作为产物：
  描述：

  4-氯-3-甲基苯酚 在 三氯化铝 、 三氯氧磷 作用下， 生成 4-氯-3-甲基苯基二氯磷酸酯
  参考文献：
  名称：

  The Synthesis of Alkyl Aryl Phosphates from Aryl Phosphorochloridates. I. The Sodium Alkoxide Route¹

  摘要：

  DOI：

  10.1021/ja01536a052

文献信息

• Preparation, Infrared and Mass Spectral Studies of 6-Substituted 6,7-Dihydro-5<i>H</i>-dibenzo[<i>d</i>,<i>f</i>][1,3,2]diazaphosphepine 6-Oxides
  作者：M. S. R. Naidu、C. Devendranath Reddy

  DOI：10.1246/bcsj.51.2156

  日期：1978.7

  the IR spectra. Under electron impact, the splitting pattern of these compounds takes about four major fragmentation pathways. The stability of dibenzodiazaphospheine cyclic system is indicated by the appearence of ions at m/e 229 and 211 corresponding to the species C12H10N2OP+ and C12H8N2P+, respectively, in all the spectra of the compounds except in the methyl and ethyl substituted compounds.

  已经合成了几种 6-取代 6,7-二氢-5H-二苯并[d,f][1,3,2]二氮杂膦 6-氧化物，并通过红外和质谱证实了它们的结构。红外光谱表明这些化合物中酰胺氢和磷酰氧之间存在氢键。在电子撞击下，这些化合物的分裂模式大约有四种主要的碎裂途径。二苯并二氮杂膦环体系的稳定性通过在除甲基和乙基取代的化合物之外的所有化合物光谱中分别对应于物种C12H10N2OP+和C12H8N2P+的m/e 229和211处的离子的出现来表明。
• Cyclic organophosphorus compounds. Part X. Synthesis of N-(2-aminoethyl)phosphoramidic acids, cyclic phosphorodiamidates, and related compounds
  作者：R. S. Edmundson

  DOI：10.1039/j39690002730

  日期：——

  Reaction between ethylenediamine and aryl phosphorodichloridates yields aryl hydrogen N-(2-aminoethyl)-phosphoramidates and not cyclic phosphorodiamidates as reported earlier. I.r. spectroscopy distinguishes between such acids and true cyclic phosphorodiamidates made from trimethylenediamine. 1,2-, 1,3-, and 1,4-Diaminoalkanes cyclise with phenyl phosphorodichloridothionate. o-Phenylenediamine behaves

  乙二胺与芳基二氯膦酸酯之间的反应产生芳基氢N-（2-氨基乙基）-磷酰胺基酯，而不是环状的二氨基氨基磷酸酯。红外光谱法将这种酸与由三亚甲基二胺制得的真正的环状二氨基磷酸二酯区分开来。1,2-，1,3-和1,4-二氨基链烷烃与苯基二氯硫代磷酸酯环化。邻苯二胺的行为类似于乙二胺。
• Synthesis and1H,13C and31P NMR studies of 2,10-dichloro-6-aryloxy-12H-dibenzo [d,g] [1,3,2]-dioxaphosphocin 6-oxides
  作者：C. Devendranath Reddy、R. S. N. Reddy、C. Naga Raju、Marwan ElMasri、K. Darrell Berlin、Shankar Subramanian

  DOI：10.1002/mrc.1260291111

  日期：1991.11

  The spectral analyses and syntheses of several novel 2,10-dichloro-6-aryloxy/alkyl-12H-dibenzo [d,g] [1,3,2] dioxaphosphocin 6-oxides have been achieved. Long-range coupling [5J(H,P) = 2.4 Hz] was observed between phosphorus and the bridged methylene protons. Based upon NMR data, a tub-like conformation is proposed for the central eight-membered dioxaphosphocin ring. Long-range 2J(P,O,C) and 3J(P,O,C,C) couplins were determined, as were the 31P chemical shifts for sixteen members of these new heterocycles. A variable-temperature study of one member suggested the presence of a tub form as a reasonable candidate for one major conformer but the presence of other forms was also implied.

  对几种新型 2,10-二氯-6-芳氧基/烷基-12H-二苯并 [d,g] [1,3,2] 二氧磷杂环丁烷 6-氧化物进行了光谱分析和合成。在磷和桥接的亚甲基质子之间观察到了长程耦合[5J(H,P) = 2.4 Hz]。根据核磁共振数据，提出了中心八元二氧磷环的管状构象。对这些新杂环的 16 个成员的长程 2J（P,O,C）和 3J（P,O,C,C）偶联物以及 31P 化学位移进行了测定。对其中一个成员进行的变温研究表明，一个主要构象的合理候选形式是管状，但也暗示存在其他形式。
• Synthesis,1H,13C and31P NMR spectral studies of novel 2-aryloxy/cyclicamino- 3-(4-methylphenyl)- 1H- naphth[ 1,2-e] [1,3,2] oxazaphosphorine 2-oxides/sulphides and13C NMR data for some 4-substituted-dinaphtho dioxaphosphepin 4-oxides/sulphides
  作者：C. Naga Raju、M. S. R. Naidu、E. O. John、M. C. Reddy

  DOI：10.1002/mrc.1260281013

  日期：1990.10

  The syntheses, 1H, 13C and 31P NMR chemical shifts and 13C‐31P coupling constants of 2‐aryloxy/cyclicamino‐2,3‐dihydro ‐3‐ (4‐methylphenyl) ‐1H ‐ naphth [1,2‐e] [1,3,2]oxazaphosphorine 2‐oxides/sulphides and the 13C NMR data for 4‐substituted ‐ dinaphtho [2,1 ‐d:1′,2′‐f] [1,3,2] dioxaphosphepin 4‐oxides/sulphides are reported.

  2-芳氧基/环氨基-2,3-二氢-3-(4-甲基苯基)-1H-萘[1,2-e]的合成、1H、13C和31P NMR化学位移和13C-31P耦合常数[1] ,3,2]oxazaphosphorine 2-oxides/sulphides 和 13C NMR 数据为 4-取代 - dinaphtho [2,1 -d:1',2'-f] [1,3,2] dioxaphosphepin 4-oxides/sulphides被报道。
• Devendranath Reddy; Reddy; Naga Raju, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2000, vol. 39, # 6, p. 426 - 432
  作者：Devendranath Reddy、Reddy、Naga Raju

  DOI：——

  日期：——