(3-三氟甲基苄基)-肼 | 51421-34-2

• 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: (3-三氟甲基苄基)-肼
• 英文名称: 3-trifluoromethyl-benzyl-hydrazine
• 英文别名: 3-(trifluoromethyl)benzyl hydrazine；3-trifluoromethylbenzyl-hydrazine；3-Trifluoromethylbenzylhydrazine；[3-(trifluoromethyl)phenyl]methylhydrazine
• CAS: 51421-34-2
• 化学式: C₈H₉F₃N₂
• mdl: MFCD00052107
• 分子量: 190.168
• InChiKey: ZWJSVMVEQWKXJZ-UHFFFAOYSA-N

物化性质

• 沸点：
  256.4±40.0 °C(Predicted)
• 密度：
  1.253±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  38
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  (3-三氟甲基苄基)-肼 、 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 N-[4-chloro-2-methyl-6-[[[3-(trifluoromethyl)phenyl]methylamino]carbamoyl]phenyl]-2,2-dimethylpropanamide
  参考文献：
  名称：

  Synthesis and Bioactivity Study of 2-Acylamino-Substituted N′-Benzylbenzohydrazide Derivatives

  摘要：

  The discovery of new safe and effective pesticides is one of the main means of providing eco-friendly agricultural agents for modern crop protection. To identify new biological molecules based of the anthranilic diamide skeleton of the novel pesticide chlorantraniliprole, which acts on the ryanodine receptor and functional groups in acyl hydrazine insect growth regulators, more than 40 new compounds of 2-acylamino-substituted N'-benzylbenzohydrazide derivatives were designed and synthesized. The structures of the new compounds were characterized using H-1 nuclear magnetic resonance (NMR), high-resolution mass spectrometry (HRMS), or electron impact mass spectrometry (El MS), and their biological activities at a concentration of 600 mg L-1 were determined against cotton aphid (Aphis gossypii Glover), carmine spider mite (Tetranychus cinnabarinus), and diamondback moth (Plutella xylostella). The results of a preliminary assay showed that compounds 6a-I-2 and 6d-III-4 maintained the lethal activity of anthranilic diamide against P. xylostella; compounds 6c-II-4, 6d-I-7, 6d-II-1, and 6d-III-5 exhibited good lethal activity against A gossypii; and compounds 6a-II-1, 6a-III-1, 6b-I-7, 6c-I-1, and 6c-III-5 retained promising larvicidal activities against T. cinnabarinus. In subsequent further tests against T. cinnabarinus, compounds 6a-II-1, 6a-III-1, 6c-I-1, and 6c-III-5 showed an LC50 value of <90 mg L-1; especially, the LC50 of compound 6a-III-1 was only 27.9 mg L-1. In conclusion, the introduction of the functional fragment-substituted acyl hydrazine improved the acaricidal activity of the anthranilic diamide skeleton, and the halogen atom at X position and the methyl group at RI play crucial roles in the biological activities of the compounds.

  DOI：

  10.1021/jf303376t
• 作为产物：
  描述：

  1-氯甲基-3-三氟甲基苯 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 1.5h， 生成 (3-三氟甲基苄基)-肼
  参考文献：
  名称：

  Synthesis and Bioactivity Study of 2-Acylamino-Substituted N′-Benzylbenzohydrazide Derivatives

  摘要：

  The discovery of new safe and effective pesticides is one of the main means of providing eco-friendly agricultural agents for modern crop protection. To identify new biological molecules based of the anthranilic diamide skeleton of the novel pesticide chlorantraniliprole, which acts on the ryanodine receptor and functional groups in acyl hydrazine insect growth regulators, more than 40 new compounds of 2-acylamino-substituted N'-benzylbenzohydrazide derivatives were designed and synthesized. The structures of the new compounds were characterized using H-1 nuclear magnetic resonance (NMR), high-resolution mass spectrometry (HRMS), or electron impact mass spectrometry (El MS), and their biological activities at a concentration of 600 mg L-1 were determined against cotton aphid (Aphis gossypii Glover), carmine spider mite (Tetranychus cinnabarinus), and diamondback moth (Plutella xylostella). The results of a preliminary assay showed that compounds 6a-I-2 and 6d-III-4 maintained the lethal activity of anthranilic diamide against P. xylostella; compounds 6c-II-4, 6d-I-7, 6d-II-1, and 6d-III-5 exhibited good lethal activity against A gossypii; and compounds 6a-II-1, 6a-III-1, 6b-I-7, 6c-I-1, and 6c-III-5 retained promising larvicidal activities against T. cinnabarinus. In subsequent further tests against T. cinnabarinus, compounds 6a-II-1, 6a-III-1, 6c-I-1, and 6c-III-5 showed an LC50 value of <90 mg L-1; especially, the LC50 of compound 6a-III-1 was only 27.9 mg L-1. In conclusion, the introduction of the functional fragment-substituted acyl hydrazine improved the acaricidal activity of the anthranilic diamide skeleton, and the halogen atom at X position and the methyl group at RI play crucial roles in the biological activities of the compounds.

  DOI：

  10.1021/jf303376t

文献信息

• ADENOSINE A2A RECEPTOR ANTAGONISTS
  申请人：Clasby Martin C.

  公开号：US20080255156A1

  公开（公告）日：2008-10-16

  Compounds having the structural formula I or a pharmaceutically acceptable salt thereof, wherein: X 1 and X 2 are 1-3 substituents independently selected from the group consisting of H, alkyl, halo, —CF 3 , —OCF 3 , alkoxy, —OH and —CN; n is 0, 1 or 2; and R and R 1 are H or alkyl; also disclosed is the use of the compounds in the treatment of CNS diseases such as Parkinson's disease, alone or in combination with other agents for treating CNS diseases, pharmaceutical compositions comprising them and kits comprising the components of the combinations.

  具有结构式I或其药用可接受盐的化合物，其中：X1和X2分别选自H、烷基、卤、—CF3、—OCF3、烷氧基、—OH和—CN组成的1-3个取代基；n为0、1或2；R和R1为H或烷基；还公开了该化合物在治疗中枢神经系统疾病如帕金森病中的用途，单独或与其他治疗中枢神经系统疾病的药剂联合使用，包括它们的药物组合物和包含该组合物成分的工具包。
• Arthropodicidal and fungicidal methods of using 1-aralkylpyrazoles
  申请人：Bayer Aktiengesellschaft

  公开号：US04845089A1

  公开（公告）日：1989-07-04

  1-Aralkylpyrazoles of the formula ##STR1## in which Ar represents optionally substituted aralkyl, R.sup.1 represents alkyl, R.sup.2 represents hydrogen, alkyl, halogenoalkyl, optionally substituted benzyl, or the --COR.sup.4, --COOR.sup.4, --NR.sup.5 R.sup.6 or --CONR.sup.5 R.sup.6 radicals, where R.sup.4 represents hydrogen, alkyl, halogenoalkyl or alkoxyalkyl, and R.sup.5 and R.sup.6 represent hydrogen and/or alkyl, R.sup.3 represents hydrogen or alkyl, or R.sup.2 and R.sup.3 together represent the --Co--(CH.sub.2).sub.m --, --(CH.sub.2).sub.m --or --CH.dbd.CH--CH.dbd.CH-- groups, where m represents the numbers 2, 3, 4 or 5, and n represents the numbers 0, 1 or 2, which possess pesticidal activity.

  公式为##STR1##的1-芳基吡唑，其中Ar代表可选择取代的芳基，R.sup.1代表烷基，R.sup.2代表氢，烷基，卤代烷基，可选择取代的苄基，或--COR.sup.4，--COOR.sup.4，--NR.sup.5 R.sup.6或--CONR.sup.5 R.sup.6基团，其中R.sup.4代表氢，烷基，卤代烷基或烷氧基烷基，R.sup.5和R.sup.6代表氢和/或烷基，R.sup.3代表氢或烷基，或R.sup.2和R.sup.3一起代表--Co--(CH.sub.2).sub.m --，--(CH.sub.2).sub.m --或--CH.dbd.CH--CH.dbd.CH--基团，其中m代表数字2、3、4或5，n代表数字0、1或2，具有杀虫活性。
• 1-aralkyl-5-imino-pyrazole compounds, pesticidal composition and use
  申请人：Bayer Aktiengesellschaft

  公开号：US04822810A1

  公开（公告）日：1989-04-18

  Arthropodicidally active 1-aralkylpyrazoles of the formula ##STR1## in which R.sup.1 represents alkyl, R.sup.2 represents alkyl, R.sup.3 represents hydrogen or alkyl, Ar represents optionally substituted aralkyl and n represents the numbers 0, 1 or 2.

  式子为##STR1##的1-芳基烷基吡唑类化合物具有节肢动物杀虫活性，其中R.sup.1代表烷基，R.sup.2代表烷基，R.sup.3代表氢或烷基，Ar代表可选择取代的芳基烷基，n代表数字0、1或2。
• 1-Aralkylpyrazole
  申请人：BAYER AG

  公开号：EP0245785A2

  公开（公告）日：1987-11-19

  Es werden neue 1-Aralkylpyrazole der Formel (I) bereitgestellt, in welcher Ar für gegebenenfalls substituiertes Aralkyl steht, R¹ für Alkyl steht, R² für Wasserstoff, Alkyl, Halogenalkyl, gegebenenfalls substituiertes Benzyl oder für die Reste -COR⁴, -COOR⁴, -NR⁵R⁶, -CONR⁵R⁶ steht, wobei R⁴ für Wasserstoff, Alkyl, Halogenalkyl, Alkoxy­alkyl und R⁵ und R⁶ für Wasserstoff und/oder Alkyl steht, R³ für Wasserstoff oder Alkyl steht oder R² und R³ gemeinsam für die Gruppierungen -CO-(CH₂)m-, -(CH₂) oder -CH=CH-CH=CH- stehen, wobei m für die Zahlen 2, 3, 4, oder 5 steht und n für die Zahlen 0, 1 oder 2 steht. Die neuen Aralkylpyrazole (I) können nach verschiedenen im Anmeldungstext beschriebenen Verfahren hergestellt werden und besitzen ausgezeichnete akarizide Wirksamkeit.

  式 (I) 的新 1-芳基吡唑 其中 Ar 代表任选取代的芳烷基、 R¹ 是烷基 R² 代表氢、烷基、卤代烷基、任选取代的苄基或自由基 -COR⁴、-COR⁴、-NR⁵R⁶、-CONR⁵R⁶、 其中 R⁴ 是氢、烷基、卤代烷基、烷氧基烷基和 R⁵ 和 R⁶ 代表氢和/或烷基、 R³ 代表氢或烷基，或 R² 和 R³ 共同代表基团-CO-(CH₂)m-、-(CH₂) 或 -CH=CH-CH=CH-，其中 m 代表数字 2、3、4 或 5，以及 n 代表数字 0、1 或 2。 新的芳烷基吡唑（I）可通过应用文中所述的各种方法制备，并具有优异的杀螨活性。
• LINDIG, MARKUS;BECKER, BENEDIKT
  作者：LINDIG, MARKUS、BECKER, BENEDIKT

  DOI：——

  日期：——