焦磷酸乙酯 | 1707-71-7

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 中文名称: 焦磷酸乙酯
• 中文别名: 吡喃磷酸二氢二乙酯
• 英文名称: diphosphoric acid 1,2-diethyl ester
• 英文别名: Diphosphorsaeure-1,2-diaethylester；Diaethyl-1,2-dihydrogendiphosphat；P¹,P²-Diethyl-pyrophosphat；Dihydrogen-pyrophosphorsaeure-diethylester；symm. Diethyl-pyrophosphorsaeure；Diaethyl-pyrophosphat；Diethyl dihydrogen diphosphate；[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate
• CAS: 1707-71-7
• 化学式: C₄H₁₂O₇P₂
• 分子量: 234.083
• InChiKey: RUZMUTWCUZLWQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  焦磷酸乙酯 在 氢氟酸 作用下， 生成 Fluor-phosphorsaeure-monoethylester
  参考文献：
  名称：

  Esters of Monofluorophosphoric Acid¹

  摘要：

  DOI：

  10.1021/ja01167a033
• 作为产物：
  描述：

  特普 在 barium(II) iodide 、 丁酮 作用下， 生成 焦磷酸乙酯
  参考文献：
  名称：

  Mood Disorders During Pregnancy and Lactation: Defining Issues of Exposure and Treatment

  摘要：

  摘要流行病学研究一致表明，女性抑郁症和焦虑症的发病率较高。许多女性在生育期都会出现这些症状。大量文献关注的是药物的使用，却往往忽视了这些疾病的潜在影响。从人类和实验室关于孕期和产后精神疾病和压力的现有数据来看，显然总会有一定程度的接触（无论是治疗还是疾病）。对这些时期的精神疾病治疗进行风险效益评估的主要目的，是帮助患者及其家属选择对他们来说风险最小的潜在暴露途径。一旦做出这一决定，目标就是限制胎儿/新生儿接触的次数。

  DOI：

  10.1017/s1092852900007914

文献信息

• Studies in phosphorylation. Part XXIX. The synthesis of dialkyl phosphates from monoalkyl phosphonates: direct oxidative esterification
  作者：G. M. Blackburn、J. S. Cohen、Lord Todd

  DOI：10.1039/j39660000239

  日期：——

  Dialkyl hydrogen phosphates, RO(R′O)PO2H, are produced from monoalkyl hydrogen phosphonates, RO(HO)PHO, by oxidation either with bromine in pyridine or with carbon tetrachloride and triethylamine with stoicheiometric quantities of an alcohol. In the absence of an alcohol, the former reagent gives sym-dialkyl dihydrogen pyrophosphates in good yield. The nature of the phosphorylating entity in each system

  磷酸二烷基氢酯RO（R'O）PO 2 H由膦酸单烷基氢酯RO（HO）PHO通过在吡啶中的溴或四氯化碳和三乙胺与化学计量的醇氧化而制得。在不存在醇，前者试剂赋予符号二烷基焦磷酸二氢盐以良好的收率。讨论了每个系统中磷酸化实体的性质。
• Preparation of Phosphate and Pyrophosphate Esters by the Metal-catalyzed Reaction of 8-Quinolyl Phosphates
  作者：KINZO NAGASAWA、HISAE YOSHIDOME

  DOI：10.1248/cpb.21.2438

  日期：——

  In the presence of Cu (II) ion, alkyl 8-quinolyl hydrogen phosphates (alkyl=ethyl, cyclohexyl, and benzyl) converted into the corresponding P1, P2-disubstituted pyrophosphates with formation of 8-hydroxyquinoline-Cu (II) chelate in anhydrous pyridine. When this reaction was carried out in pyridine containing alcohols (R'=ethyl, amyl, cyclohexyl, and benzyl), corresponding dialkyl hydrogen phosphates (R-R'=ethyl-cyclohexyl, amyl-cyclohexyl, cyclohexyl-benzyl, and ethyl-benzyl) were formed as a sole product. The factors (water content, solvent, metal ion) which affect this metal-catalyzed reaction were examined, and a possible mechanism for the reaction was presented.

  在 Cu (II) 离子存在下，烷基 8-喹啉基氢磷酸酯（烷基=乙基、环己基和苄基）在无水吡啶中转化为相应的 P1、P2-二取代焦磷酸盐，并形成 8-羟基喹啉-Cu (II) 螯合物。当该反应在含有醇（R'=乙基、戊基、环己基和苄基）的吡啶中进行时，相应的二烷基氢磷酸盐（R-R'=乙基-环己基、戊基-环己基、环己基-苄基和乙基-苄基）作为唯一产物生成。研究了影响这种金属催化反应的因素（含水量、溶剂、金属离子），并提出了反应的可能机理。
• Cronje, Journal of the South African Chemical Institute, 1949, vol. 2, p. 15,17,19,25
  作者：Cronje

  DOI：——

  日期：——
• Nucleoside Polyphosphates. IX.¹ The Reversible Formation of Pyrophosphates from Monoesters of Phosphoric Acid by Reaction with Acetic Anhydride²
  作者：H. G. Khorana、J. P. Vizsolyi

  DOI：10.1021/ja01526a053

  日期：1959.9
• Mood Disorders During Pregnancy and Lactation: Defining Issues of Exposure and Treatment
  作者：Zachary N. Stowe、Kelley Calhoun、Clayton Ramsey、Noha Sadek、Jeffrey Newport

  DOI：10.1017/s1092852900007914

  日期：2001.2

  Epidemiologic studies have consistently demonstrated a greater incidence of depressive disorders and anxiety among women. Many women experience these conditions during the reproductive years. The dramatic expanse of literature focusing on the use of medications often has failed to pay homage to the potential impact of the disorders. When considering the extant human and laboratory data on mental illness and stress during pregnancy and the postpartum period, it is evident that some degree of exposure (be it treatment or illness) always occurs. The primary goal of the risk-benefit assessment for the treatment of mental illness during these periods is to assist patients and their families in choosing the path of potential exposure that possesses the least risk for them. Once this decision is made, the goal is to limit the number of exposures for the fetus/neonate.

  摘要流行病学研究一致表明，女性抑郁症和焦虑症的发病率较高。许多女性在生育期都会出现这些症状。大量文献关注的是药物的使用，却往往忽视了这些疾病的潜在影响。从人类和实验室关于孕期和产后精神疾病和压力的现有数据来看，显然总会有一定程度的接触（无论是治疗还是疾病）。对这些时期的精神疾病治疗进行风险效益评估的主要目的，是帮助患者及其家属选择对他们来说风险最小的潜在暴露途径。一旦做出这一决定，目标就是限制胎儿/新生儿接触的次数。