3-(二甲基氨基)苯甲酰肼 | 205927-64-6

• 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-(二甲基氨基)苯甲酰肼
• 英文名称: 3-dimethylaminobenzhydrazide
• 英文别名: 3-dimethylaminobenzoylhydrazide；3-(dimethylamino)benzohydrazide；3-dimethylamino-benzoic acid hydrazide
• CAS: 205927-64-6
• 化学式: C₉H₁₃N₃O
• mdl: MFCD00238588
• 分子量: 179.222
• InChiKey: UBSSYVLPIDYZJC-UHFFFAOYSA-N

物化性质

• 密度：
  1.156±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  58.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  3-(二甲基氨基)苯甲酰肼 在 caesium carbonate 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 32.0h， 生成 2-(2-methoxyphenyl)-5-(4-methylphenylthio)-1,3,4-oxadiazole
  参考文献：
  名称：

  Transition metal-free direct C–H bond thiolation of 1,3,4-oxadiazoles and related heteroarenes

  摘要：

  开发了一种便捷的无过渡金属催化方法，利用二芳基二硫醚直接对1,3,4-噁二唑C-H键进行硫醇化。该方法同样适用于吲哚、苯并噻唑、N-苯基苯并咪唑及咖啡因等多种底物，能以良好至优异的产率得到相应的硫醇化产物。

  DOI：

  10.1039/c2cc36711d
• 作为产物：
  描述：

  3-二甲基氨基苯甲酰氯 在 一水合肼 作用下， 生成 3-(二甲基氨基)苯甲酰肼
  参考文献：
  名称：

  Synthesis and Insecticidal Activities of 1,3,5-Trisubstituted-1,3,5-hexahydrotriazine-2-N-nitroimines

  摘要：

  AbstractA new series of 1,3,5‐trisubstituted‐1,3,5‐hexahydrotriazine‐2‐N‐nitroimines (3a–3j) were designed and synthesized as novel neonicotinoid analogues, and their structures were characterized by 1H NMR, IR, elemental analysis and MS. The preliminary bioassay tests showed that most of the target compounds had good insecticidal activities against Nilaparvata lugens as well as Aphis medicaginis at 500 mg/L, while compound 3i had 100% mortality against Nilaparvata lugens at 20 mg/L.

  DOI：

  10.1002/cjoc.201180373

文献信息

• Design, synthesis, insecticidal activity and 3D-QSR study for novel trifluoromethyl pyridine derivatives containing an 1,3,4-oxadiazole moiety
  作者：F. Z. Xu、Y. Y. Wang、D. X. Luo、G. Yu、S. X. Guo、H. Fu、Y. H. Zhao、J. Wu

  DOI：10.1039/c8ra00161h

  日期：——

  A series of trifluoromethyl pyridine derivatives containing 1,3,4-oxadiazole moiety was designed, synthesized and bio-assayed for their insecticidal activity. The result of bio-assays indicated the synthesized compounds exhibited good insecticidal activity against Mythimna separata and Plutella xylostella, most of the title compounds show 100% insecticidal activity at 500 mg L−1 and >80% activity at

  设计、合成了一系列含有1,3,4-恶二唑部分的三氟甲基吡啶衍生物，并对其杀虫活性进行了生物测定。生物测定结果表明，合成的化合物对Mythimna separata和Plutella xylostella表现出良好的杀虫活性，大多数标题化合物在 500 mg L -1 时表现出 100% 的杀虫活性，在250 mg L -1时表现出大于 80% 的杀虫活性。两种害虫。化合物E18和E27对Mythimna separata的LC 50值分别为38.5和30.8 mg L -1，接近阿维菌素（29.6 mg L -1); 化合物E5、E6、E9、E10、E15、E25、E26和E27在 250 mg L -1下显示出 100% 的活性，优于毒死蜱 (87%)。提出了具有良好可预测性的 CoMFA 和 CoMSIA 模型，表明苯环 2 位和 4 位具有适当体积的吸电子基团可以增强杀虫活性。
• Synthesis and bioactivity of sulfide derivatives containing 1,3,4-oxadiazole andpyridine
  作者：Gang YU、Shunhong CHEN、Feng HE、Dexia LUO、Yu ZHANG、Jian WU

  DOI：10.3906/kim-1901-45

  日期：——

  A series of novel sulfide derivatives containing 1,3,4-oxadiazole and pyridine were synthesized, characterized, and tested for their antibacterial activity against tobacco bacterial wilt and rice bacterial blight and for insecticidal activity toward diamondback moth. The results showed that some compounds had good insecticidal and bactericidal activity, e.g., the activities of compounds 6e and 6g-6j toward tobacco bacterial wilt were much better than those of commercial thiodiazole-copper, and some of the synthesized compounds possessed good insecticidal activity against Plutella xylostella. Compounds 6d, 6h, 6j, 6l, 6p, 6r, and 6p displayed over 93% activity at 500 mg L$^-1}$.

  合成了一系列含有1,3,4-噁二唑和吡啶的新型硫化物衍生物，并对其进行了表征和抗菌活性测试，针对烟草细菌性枯萎病和稻细菌性条斑病，以及对小菜蛾的杀虫活性。结果表明，某些化合物具有良好的杀虫和杀菌活性，例如，化合物6e和6g-6j对烟草细菌性枯萎病的活性远优于商业化的硫二嗪铜，并且一些合成的化合物对小菜蛾具有良好的杀虫活性。化合物6d、6h、6j、6l、6p、6r和6p在500 mg/L下显示出超过93%的活性。
• Synthesis and Insecticidal Activities of<i>cis</i>-Configuration Nitenpyram Analogues with Benzoyl Hydrazines
  作者：Xiao Xu、Chuan-wen Sun、Ding-rong Yang、Hong-fei Bu、Jing Wang、Yong-hua Xu

  DOI：10.1002/jhet.1546

  日期：2013.7

  designed neonicotinoid compounds, a series of novel cis‐configuration nitenpyram analogues with benzoyl hydrazines were designed and synthesized. The structures of all compounds were confirmed by IR, 1H NMR, MS, and elemental analysis. Preliminary bioassays indicated that all the analogues exhibited good insecticidal activities against Nilaparvata legen and Aphis medicagini at 500 mg L−1.

  为了研究我们设计的新烟碱类化合物的结构与活性之间的关系，设计并合成了一系列新颖的带有苯甲酰肼的顺式构型硝烯吡喃类似物。所有化合物的结构均通过IR，1 H NMR，MS和元素分析确定。初步的生物测定表明，所有类似物在500 mg L -1时对尼古拉猪笼草和蚜虫均表现出良好的杀虫活性。
• Structure Activity Relationship of Brevenal Hydrazide Derivatives
  作者：Allan Goodman、Jennifer McCall、Henry Jacocks、Alysha Thompson、Daniel Baden、William Abraham、Andrea Bourdelais

  DOI：10.3390/md12041839

  日期：——

  Brevenal is a ladder frame polyether produced by the dinoflagellate Karenia brevis. This organism is also responsible for the production of the neurotoxic compounds known as brevetoxins. Ingestion or inhalation of the brevetoxins leads to adverse effects such as gastrointestinal maladies and bronchoconstriction. Brevenal shows antagonistic behavior to the brevetoxins and shows beneficial attributes when administered alone. For example, in an asthmatic sheep model, brevenal has been shown to increase tracheal mucosal velocity, an attribute which has led to its development as a potential treatment for Cystic Fibrosis. The mechanism of action of brevenal is poorly understood and the exact binding site has not been elucidated. In an attempt to further understand the mechanism of action of brevenal and potentially develop a second generation drug candidate, a series of brevenal derivatives were prepared through modification of the aldehyde moiety. These derivatives include aliphatic, aromatic and heteroaromatic hydrazide derivatives. The brevenal derivatives were tested using in vitro synaptosome binding assays to determine the ability of the compounds to displace brevetoxin and brevenal from their native receptors. A sheep inhalation model was used to determine if instillation of the brevenal derivatives resulted in bronchoconstriction. Only small modifications were tolerated, with larger moieties leading to loss of affinity for the brevenal receptor and bronchoconstriction in the sheep model.

  Brevenal是一种由 dinoflagellate Karenia brevis 产生的梯级框架聚醚。这种生物体也负责生成被称为 brevetoxins 的神经毒素化合物。摄入或吸入这些神经毒素会导致不良反应，如胃肠疾病和支气管收缩。Brevenal 对 brevetoxins 显示出拮抗作用，并且在单独使用时显示出有益特性。例如，在哮喘羊模型中，Brevenal 显示出能够增加气管黏膜速度，这一特性促使其被开发为潜在的囊性纤维化治疗药物。Brevenal 的作用机制尚不清楚，具体的结合位点尚未阐明。为进一步理解 brevenal 的作用机制并可能开发第二代药物候选物，通过对醛基部分进行修改，合成了一系列 brevenal 衍生物。这些衍生物包括脂肪族、芳香族和杂芳香族肼衍生物。使用体外突触体结合实验测试了这些 brevenal 衍生物，以确定它们对原生受体的 brevetoxin 和 brevenal 的置换能力。采用羊的吸入模型来确定 brevenal 衍生物的滴入是否导致支气管收缩。仅允许小幅度修改，较大的官能团则导致对 brevenal 受体的亲和力下降，并在羊模型中导致支气管收缩。
• Use of metal hydrazide complex compounds as oxidation catalysts
  申请人：BASF SE

  公开号：US08791298B2

  公开（公告）日：2014-07-29

  The present invention relates to the use of selected metal complex compounds and ligands as oxidation catalysts as well as to a process for removing stains and soil on textiles and hard surfaces. The metal complex compounds have hydrazide ligands, preferably with electron withdrawing groups in the phenyl ring adjacent to the acyl group. Further aspects of the invention are formulations comprising such metal complex compounds, novel metal complex compounds and novel ligands.

  本发明涉及选定的金属配合物和配体作为氧化催化剂的用途，以及一种用于去除纺织品和硬表面上的污渍和污垢的工艺。这些金属配合物具有肼配体，最好是在邻近酰基的苯环中带有电子吸引基团。本发明的进一步方面包括包含这种金属配合物的配方、新型金属配合物和新型配体。