4-硝基-3-甲基苄基氰 | 119713-11-0

• 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-硝基-3-甲基苄基氰
• 英文名称: 4-nitro-3-methylbenzyl cyanide
• 英文别名: 3-Methyl-4-nitro-benzylcyanid；(3-methyl-4-nitrophenyl)acetonitrile；4-Nitro-3-methyl-phenylessigsaeurenitril；2-(3-methyl-4-nitrophenyl)acetonitrile
• CAS: 119713-11-0
• 化学式: C₉H₈N₂O₂
• mdl: MFCD18291976
• 分子量: 176.175
• InChiKey: TZKDDKCXHPQTSC-UHFFFAOYSA-N

物化性质

• 熔点：
  52 °C
• 沸点：
  338.8±27.0 °C(Predicted)
• 密度：
  1.225±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  69.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-硝基-3-甲基苄基氰 在 硫酸 作用下， 以 水 为溶剂， 反应 1.5h， 生成 2-(3-甲基-4-硝基苯基)乙酸
  参考文献：
  名称：

  WO2006/123639

  摘要：

  公开号：
• 作为产物：
  描述：

  间甲基苯乙腈 在 硫酸 、 硝酸 作用下， 反应 1.0h， 生成 4-硝基-3-甲基苄基氰
  参考文献：
  名称：

  Partial dopamine receptor agonists with different degrees of intrinsic activity within a series of 2-(4-aminophenyl)-N,N-dipropylethylamine derivatives: synthetic chemistry and structure-activity relationships

  摘要：

  A series of 2-(4-aminophenyl)-N,N-dipropylethylamine derivatives were synthesized and tested for in vivo intrinsic activity at brain dopamine receptors in the rat. Differences in the sensitivity of dopamine receptors pre and post-synaptically in the reserpine-treated rat were used to estimate the intrinsic activity of the various compounds as dopamine receptor agonists. Thus, the ability of the compounds to antagonize reserpine-induced increase in neostriatal dopamine synthesis and the suppression of spontaneous locomotor activity were taken as pre-and post-synaptic indices, respectively. The compounds in the present series display a gradient of intrinsic activity depending on the substituents in the aromatic ring. The presence of an amino group or an appropriate acylamino group in the 4-position was found to be critical for the biological activity of these compounds as agonists or antagonists. The introduction of halogen or a trifluoromethyl group In the 3-position resulted in high intrinsic activity (ie, agonist activity). The incorporation of a methyl group in the 3-position or halogens in the 3,5-positions resulted in a gradual decrease in intrinsic activity at rat brain dopamine receptors resulting in a series of compounds ranging from a full agonist to dopamine receptor blockade.

  DOI：

  10.1016/0223-5234(96)80446-6

文献信息

• Insecticidal Benzenedicarboxamide Derivative
  申请人：Wada Katsuaki

  公开号：US20110184188A1

  公开（公告）日：2011-07-28

  The present invention relates to a novel benzenedicarboxamide derivative and the use thereof as an insecticide having the formula (I) wherein the chemical groups W 1 to W 9 , and R 1 to R 3 are as defined here-in.

  本发明涉及一种新型苯二甲酰胺衍生物及其作为杀虫剂的用途，其化学式为(I)，其中化学基团W1至W9，以及R1至R3如本文所定义。
• THIAZOLIDINONE COMPOUNDS AND USE THEREOF
  申请人：National Health Research Institutes

  公开号：US20170253569A1

  公开（公告）日：2017-09-07

  A pharmaceutical composition containing a compound of Formula (I) for treating an opioid receptor-associated condition. Also disclosed is a method for treating an opioid receptor-associated condition using such a compound. Further disclosed are two sets of thiazolidinone compounds of formula (I): (i) compounds each having an enantiomeric excess greater than 90% and (ii) compounds each being substituted with deuterium.

  一种含有化合物（I）的药物组合物，用于治疗与阿片受体相关的疾病。还公开了一种使用这种化合物治疗阿片受体相关疾病的方法。进一步公开了两组式（I）的噻唑烷酮化合物：（i）每种化合物的对映体过量大于90%；（ii）每种化合物被氘取代。
• Pyrimidine derivatives
  申请人：Naganuma Kenji

  公开号：US20060293343A1

  公开（公告）日：2006-12-28

  The object of the invention is to provide a novel compound having an inhibitory action on PDE4 activity with fewer side effects. The invention provides a compound represented by the following general formula (1), possible stereoisomers thereof or racemates thereof, pharmacologically acceptable salts thereof, hydrates thereof, solvated compounds thereof, or prodrugs thereof,

  本发明的目的是提供一种对PDE4活性具有抑制作用且副作用较少的新型化合物。 该发明提供了一种由以下一般式（1）表示的化合物，其可能的立体异构体或外消旋体，其药理学上可接受的盐，水合物，溶剂化合物，或前药。
• Conjugate addition of grignard reagents to para-substituted nitrobenzenes
  作者：Stephen J. Bentley、David J. Milner

  DOI：10.1016/0022-328x(93)80265-d

  日期：1993.3

  Nitrobenzenes bearing masked aldehyde, ketone and ketoester functions at the 4-position undergo conjugate addition with Grignard reagents in THF at − 15°C. Sequential treatment of the 4-substituted nitrobenzenes with primary or secondary alkyl magnesium halides followed by 2,3-dichloro-5,6-dicyano-1,4-benzoquinone affords the corresponding 2-alkylated derivatives in 50–80% yields.

  在− 15°C下，于4-位带有掩蔽醛，酮和酮酸酯功能的硝基苯与格氏试剂共轭加成。依次用伯或仲烷基镁卤化物依次处理4-取代的硝基苯，然后用2,3-二氯-5,6-二氰基-1,4-苯醌进行处理，可以得到相应的2-烷基化衍生物，收率为50-80％。
• [EN] N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES<br/>[FR] DERIVES DE N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE ET COMPOSES INSECTICIDES ASSOCIES
  申请人：BAYER CROPSCIENCE AG

  公开号：WO2005095351A1

  公开（公告）日：2005-10-13

  Novel benzenedicarboxamides of the formula (I) wherein X represents hydrogen, halogen atom, nitro, C1-6alkylsulfonyloxy, C1-6alkylsulfinyl, C1-6alkylsulfenyl or C1-6alkylsulfonyl, R1 represents C1-6alkyl, C1-6alkylthio-C1-6alkyl, C1-6alkylsulfinyl- C1-6alkyl or C1-6 alkylsulfonyl- C1-6alkyl, Y represents halogen or C1-6alkyl, m represents 0 or 1, A represents O, S, SO, SO2, CH2 or CH(CH3), and Q represents a 5- or 6-membered heterocyclic group that contains at least one hetero atom selected from the group consisting of N, O and S and can be optionally substituted; processes for their preparation, their intermediates and their use as insecticides.

  式（I）中的新型苯二甲酰胺，其中X代表氢、卤素原子、硝基、C1-6烷基磺酰氧基、C1-6烷基亚砜基、C1-6烷基硫基或C1-6烷基磺基，R1代表C1-6烷基、C1-6烷基硫基-C1-6烷基、C1-6烷基亚砜基-C1-6烷基或C1-6烷基磺酰基-C1-6烷基，Y代表卤素或C1-6烷基，m代表0或1，A代表O、S、SO、SO2、CH2或CH(CH3)，Q代表含有至少一种异原子（N、O和S）的5-或6元杂环基，并可选择性地取代；它们的制备方法、它们的中间体以及它们作为杀虫剂的用途。