N,N'-(4,6-dinitro-1,3-phenylene)bisglycine diethyl ester | 65970-23-2

• 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
• 英文名称: N,N'-(4,6-dinitro-1,3-phenylene)bisglycine diethyl ester
• 英文别名: N,N'-(4,6-dinitro-m-phenylene)-bis-glycine diethyl ester；N,N'-Bis-carboxymethyl-4,6-dinitro-m-phenylendiamin-diaethylester；N,N'-(4,6-Dinitro-m-phenylen)-bis-glycin-diaethylester；4.6-Dinitro-N.N'-bis-aethoxycarbonylmethyl-m-phenylendiamin；N.N'-(4.6-Dinitro-m-phenylen)-diglycin-diaethylester；Ethyl 2-[5-[(2-ethoxy-2-oxoethyl)amino]-2,4-dinitroanilino]acetate
• CAS: 65970-23-2
• 化学式: C₁₄H₁₈N₄O₈
• 分子量: 370.319
• InChiKey: HMFURKFQUIHYOV-UHFFFAOYSA-N

物化性质

• 熔点：
  190-191 °C(Solv: acetic acid (64-19-7))
• 沸点：
  533.0±50.0 °C(Predicted)
• 密度：
  1.435±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  26
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  168
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  N,N'-(4,6-dinitro-1,3-phenylene)bisglycine diethyl ester 在 盐酸 作用下， 生成 N-2,4-二硝基苯基(二)甘氨酸
  参考文献：
  名称：

  Reaktionen von 1,5-difluor-2,4-dinitrobenzol mit insulin 1. Mitt. Synthese von modellverbindungen

  摘要：

  Abstract1,5‐Difluor‐2,4‐dinitrobenzol wurde mit Glycin, DL‐Phenylalanin, L‐Tyrosin und DL‐Lysin derart umgesetzt, daß die monofunktionellen, bifunktionellen und gemischt bifunktionellen Aminosäurederivate über die Ester gewonnen wurden. Die Verbindungen wurden durch Elementaranalyse, Papierchromatographie und Debyeogramm charakterisiert.

  DOI：

  10.1002/macp.1958.020260112
• 作为产物：
  描述：

  1,5-二氯-2,4-二硝基苯 在 乙醇 、 sodium acetate 作用下， 生成 N,N'-(4,6-dinitro-1,3-phenylene)bisglycine diethyl ester
  参考文献：
  名称：

  E MERGENCY M EDICAL P LANNING FOR THE 2000 R EPUBLICAN N ATIONAL C ONVENTION

  摘要：

  Planning for emergency medical services (EMS) coverage for the 2000 Republican National Convention in Philadelphia was a complex process that involved the cooperation of municipal, state, and federal agencies as well as local hospitals. The medical needs of the delegates, members of the media, and support personnel at the convention venue had to be met. Contingency plans for the possibility of large, organized political protests and associated injuries had to be developed. Steps had to be taken to ensure the safety of emergency personnel who may have to respond to such incidents. Because of the heightened threat of terrorist attacks on civilian populations in recent years, specialized training and material to respond to such incidents were required. The important role that local hospitals may play in providing care to victims of a large, multicasualty incident, especially one involving weapons of mass destruction, was recognized. Therefore, steps were taken to increase the awareness of hospital staff to patient decontamination and isolation techniques as well as specific therapies for the chemical, biological, and radioactive agents that terrorists might use. Finally, despite the focus placed on the convention, the day-to-day emergency medical needs of the citizens of Philadelphia had to be met. Through careful planning, flexibility, and cooperation, it was possible to successfully address all of these issues.

  DOI：

  10.1080/10903120190939490

文献信息

• o-Nitroaniline derivatives. Part 10. 5- and 6-Amino-1H-benzimidazole 3-oxides
  作者：Michael D. McFarlane、David J. Moody、David M. Smith

  DOI：10.1039/p19880000691

  日期：——

  Cyclisation of N-(4- or 5-acylamino-2-nitrophenyl)glycine esters in basic media gives alkyl 5- or 6-acylaminobenzimidazole-2-carboxylate N-oxides, e.g. (11a) or (11b). Acid hydrolysis of the latter, followed by reaction with ammonia, gives the title compounds (1b) and (1c), in acceptable yield. The corresponding reaction sequence with 4-acylamino-N-cyanomethyl-o-nitroanilines also gives (1b); where

  环化ñ - （4-或5-酰氨基-2-硝基苯基）在碱性介质中的甘氨酸酯给出烷基的5-或6- acylaminobenzimidazole -2-甲酸甲酯Ñ -oxides，例如。（11a）或（11b）。后者的酸水解，然后与氨反应，以可接受的收率得到标题化合物（1b）和（1c）。与4-酰基氨基-N-氰基甲基-邻-硝基苯胺的相应反应序列也给出了（1b）；和。其中酰基为甲基磺酰基，但最终产物为5-甲磺酰胺基苯并咪唑N-氧化物（9）。化合物 （还可以通过还原然后水解从5-硝基苯并咪唑-2-羧酸N-氧化物乙酯获得1b）。
• Zahn; Wuerz, Biochemische Zeitschrift, 1954, vol. 325, p. 182,189
  作者：Zahn、Wuerz

  DOI：——

  日期：——
• MCFARLANE, MICHAEL D.;MOODY, DAVID J.;SMITH, DAVID M., J. CHEM. SOC. PERKIN TRANS.,(1988) N 3, 691-696
  作者：MCFARLANE, MICHAEL D.、MOODY, DAVID J.、SMITH, DAVID M.

  DOI：——

  日期：——
• E MERGENCY M EDICAL P LANNING FOR THE 2000 R EPUBLICAN N ATIONAL C ONVENTION
  作者：C. Crawford Mechem、Steven Hare、Robert Hvisdas、David M. Berg、Ralph Halper、Leonard A. Cola

  DOI：10.1080/10903120190939490

  日期：2001.1

  Planning for emergency medical services (EMS) coverage for the 2000 Republican National Convention in Philadelphia was a complex process that involved the cooperation of municipal, state, and federal agencies as well as local hospitals. The medical needs of the delegates, members of the media, and support personnel at the convention venue had to be met. Contingency plans for the possibility of large, organized political protests and associated injuries had to be developed. Steps had to be taken to ensure the safety of emergency personnel who may have to respond to such incidents. Because of the heightened threat of terrorist attacks on civilian populations in recent years, specialized training and material to respond to such incidents were required. The important role that local hospitals may play in providing care to victims of a large, multicasualty incident, especially one involving weapons of mass destruction, was recognized. Therefore, steps were taken to increase the awareness of hospital staff to patient decontamination and isolation techniques as well as specific therapies for the chemical, biological, and radioactive agents that terrorists might use. Finally, despite the focus placed on the convention, the day-to-day emergency medical needs of the citizens of Philadelphia had to be met. Through careful planning, flexibility, and cooperation, it was possible to successfully address all of these issues.
• Reaktionen von 1,5-difluor-2,4-dinitrobenzol mit insulin 1. Mitt. Synthese von modellverbindungen
  作者：Von Helmut Zahn、Johannes Meienhofer

  DOI：10.1002/macp.1958.020260112

  日期：——

  Abstract1,5‐Difluor‐2,4‐dinitrobenzol wurde mit Glycin, DL‐Phenylalanin, L‐Tyrosin und DL‐Lysin derart umgesetzt, daß die monofunktionellen, bifunktionellen und gemischt bifunktionellen Aminosäurederivate über die Ester gewonnen wurden. Die Verbindungen wurden durch Elementaranalyse, Papierchromatographie und Debyeogramm charakterisiert.