3,4-二氨基-2-硝基甲苯 | 147021-86-1

• 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: 3,4-二氨基-2-硝基甲苯
• 英文名称: 3-nitro-4-methyl-1,2-phenylenediamine
• 英文别名: 3-nitro-4-methylbenzene-1,2-diamine；4-methyl-3-nitro-1,2-benzenediamine；3,4-diamino-2-nitrotoluene；4-Methyl-3-nitrobenzene-1,2-diamine
• CAS: 147021-86-1
• 化学式: C₇H₉N₃O₂
• mdl: MFCD01318633
• 分子量: 167.167
• InChiKey: UOFSMFMNGAKHJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  97.9
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2921590090

反应信息

• 作为反应物：
  描述：

  3,4-二氨基-2-硝基甲苯 在 盐酸 、 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 87.0h， 生成 9-[4-(2,5-dimethyl-4-nitro-1H-benzimidazol-1-yl)butyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
  参考文献：
  名称：

  A Novel Series of Highly Potent Benzimidazole-Based Microsomal Triglyceride Transfer Protein Inhibitors

  摘要：

  A series of benzimidazole-based analogues of the potent MTP inhibitor EMS-201038 were discovered. Incorporation of an unsubstituted benzimidazole moiety in place of a piperidine group afforded potent inhibitors of MTP in vitro which were weakly active in vivo. Appropriate substitution on the benzimidazole ring, especially with small alkyl groups, led to dramatic increases in potency, both in a cellular assay of apoB secretion and especially in animal models of cholesterol lowering. The most potent in this series, 3g (BMS-212122), was significantly more potent than EMS-201038 in reducing plasma lipids (cholesterol, VLDL/LDL, TG) in both hamsters and cynomolgus monkeys.

  DOI：

  10.1021/jm000494a
• 作为产物：
  描述：

  3,4-二氨基甲苯 在 盐酸 、 selenium(IV) oxide 、 硫酸 、 氢碘酸 、 硝酸 作用下， 生成 3,4-二氨基-2-硝基甲苯
  参考文献：
  名称：

  El'tsov; Selitrenikov; Rtishchev, Russian Journal of General Chemistry, 1997, vol. 67, # 2, p. 285 - 294

  摘要：

  DOI：

文献信息

• Novel cinnamic amides
  申请人：Wellner Eric

  公开号：US20050192289A1

  公开（公告）日：2005-09-01

  E-cinnamic amides of piperazine derivatives according to formula (I) wherein X is chloro or fluoro and R 1 is an aromatic or heteroaromatic group, their pharmaceutically acceptable salts or solvates. The invention also relates to pharmaceutical compositions containing a compound of formula (I) together with a pharmaceutically acceptable carrier. Included are also processes for the preparation of compounds of formula (I), as well as methods for treating mammals suffering from inflammatory, autoimmune, proliferative or hyperproliferative diseases by administering a compound having the formula (I) to said mammal.

  根据公式（I），X为氯或氟，R1为芳香或杂芳基的哌嗪衍生物的E-肉桂酰胺，其药学上可接受的盐或溶剂。该发明还涉及含有公式（I）化合物的药物组合物，以及制备公式（I）化合物的方法，以及通过向哺乳动物施用具有公式（I）的化合物来治疗患有炎症、自身免疫、增殖性或过度增殖性疾病的方法。
• A Useful Methodology for the Synthesis of 2-Methyl-4-nitrobenzimidazoles
  作者：Wei Tian、Spiros Grivas

  DOI：10.1055/s-1992-26359

  日期：——

  Cyclocondensation of 3-nitro-1,2-benzenediamines 2 with 2,4-pentanedione provides a convenient route for the preparation of 2-methyl-4-nitrobenzimidazoles 3. A discrepancy in the literature regarding the 5-chloro-, 5-methoxy- and 5-methyl derivatives of the title compounds is discussed.

  3-硝基-1,2-苯二胺2与2,4-戊二酮的环化缩合反应提供了一种制备2-甲基-4-硝基苯并咪唑3的简便方法。本文讨论了关于标题化合物的5-氯代、5-甲氧基和5-甲基衍生物的文献中存在的不一致性。
• NITRO-BASED EXPLOSIVE REMEDIATION
  申请人：Craig A. Morrie

  公开号：US20110052537A1

  公开（公告）日：2011-03-03

  Embodiments of techniques for remediating soil contaminated with compounds, particularly nitro-based explosives, are disclosed. Plants capable of taking up the compounds are grown within contaminated soil for a period of time. The plants are exposed to anaerobic microbes in the rumen of a ruminant animal. The ruminal anaerobic microbes degrade the remediable compounds and render them substantially nontoxic to the animal. In some embodiments, the remediable compounds are nitroaromatic compounds, and are degraded by nitroreductases. In other embodiments, microbes are transferred from a consortium enriched in microbes capable of degrading the remediable compounds to a ruminant animal that lacks microbes capable of degrading the remediable compounds. In other embodiments, methods for isolating and identifying ruminal anaerobic microbes capable of degrading remediable compounds are disclosed.

  本发明揭示了一种用于修复含有化合物的土壤，特别是含有硝基炸药的技术实施方案。在受污染的土壤中种植能够吸收这些化合物的植物，一段时间后，将这些植物暴露在反刍动物瘤胃内的厌氧微生物中。瘤胃内的厌氧微生物降解可修复的化合物，并使其在动物体内基本无毒。在某些实施方案中，可修复的化合物是硝基芳香化合物，并通过硝基还原酶降解。在其他实施方案中，从富含能够降解可修复化合物的微生物群落中转移微生物到缺乏能力降解可修复化合物的反刍动物体内。在其他实施方案中，揭示了用于分离和鉴定能够降解可修复化合物的瘤胃内厌氧微生物的方法。
• Methods and compositions for degradation of nitroaromatic and nitramine pollutants
  申请人：Schnoor L. Jerald

  公开号：US20050054030A1

  公开（公告）日：2005-03-10

  The invention relates to novel Methylobacterium species that are capable of degrading nitroaromatic and nitramine compounds. Compositions, kits and methods of using the Methylobacterium species for the degradation of nitroaromatic and nitramine pollutants are provided. More specifically, compositions and methods for the degradation or bioremediation of nitroaromatic and nitramine explosives and explosive residues are provided.

  本发明涉及新型 甲基细菌 本发明涉及能够降解硝基芳香族和硝胺化合物的新型甲基细菌。的组合物、试剂盒和方法。 的组合物、试剂盒和方法。 提供了用于降解硝基芳香族和硝胺污染物的组合物、试剂盒和方法。更具体地说，提供了降解或生物修复硝基芳香族和硝胺炸药及炸药残留物的组合物和方法。
• CONFORMATIONALLY RESTRICTED AROMATIC INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：EP0904262B1

  公开（公告）日：2004-04-21