2-[3-(三氟甲基)苯氧基]乙酰肼 | 307557-56-8

• 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: 2-[3-(三氟甲基)苯氧基]乙酰肼
• 中文别名: 2-[3-(三氟甲基)苯氧基]乙烷肼
• 英文名称: 3-trifluoromethylphenoxyacetic acid hydrazide
• 英文别名: 2-[3-(trifluoromethyl)phenoxy]acetohydrazide
• CAS: 307557-56-8
• 化学式: C₉H₉F₃N₂O₂
• mdl: MFCD03147377
• 分子量: 234.178
• InChiKey: CVXTVRVYODCHAX-UHFFFAOYSA-N

物化性质

• 沸点：
  383.3±42.0 °C(Predicted)
• 密度：
  1.353±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 海关编码：
  2928000090

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 2-[3-(Trifluoromethyl)phenoxy]acetohydrazide
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 2-[3-(Trifluoromethyl)phenoxy]acetohydrazide
CAS number: 307557-56-8

---

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

---

Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

---

Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

---

Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

---

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C9H9F3N2O2
Molecular weight: 234.2

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen fluoride.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-[3-(三氟甲基)苯氧基]乙酰肼 在 盐酸 、 亚硝酸特丁酯 、 碘甲烷 作用下， 以 四氢呋喃 、 甲醇 、 水 、 乙腈 为溶剂， 反应 30.75h， 生成 3-(4-azidophenyl)-4-methyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
  参考文献：
  名称：

  COMPOUND HAVING CYCLIC STRUCTURE

  摘要：

  本发明的一个目的是提供具有抗炎活性或其药理学可接受盐的化合物。本发明的解决方案是一般式（1）的化合物或其药理学可接受的盐。其中，公式中的符号定义如下：A：例如苯，E：例如—CH2—，G：例如5-成员芳香杂环环，X：例如环己烷，J：例如5-成员芳香杂环环，Y：例如苯基，R1、R2、R3：例如卤原子，R4：例如C1-C6烷基，R5：例如氢原子，R6a、R6b、R6c、R6d：例如氢原子，R7：例如氢原子，R8：例如氢原子，n1、n2、n3：例如1。

  公开号：

  US20200347030A1
• 作为产物：
  描述：

  2-[3-(三氟甲基)苯氧基]乙酸甲酯 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以40%的产率得到2-[3-(三氟甲基)苯氧基]乙酰肼
  参考文献：
  名称：

  COMPOUND HAVING CYCLIC STRUCTURE

  摘要：

  本发明的一个目的是提供具有抗炎活性或其药理学可接受盐的化合物。本发明的解决方案是一般式（1）的化合物或其药理学可接受的盐。其中，公式中的符号定义如下：A：例如苯，E：例如—CH2—，G：例如5-成员芳香杂环环，X：例如环己烷，J：例如5-成员芳香杂环环，Y：例如苯基，R1、R2、R3：例如卤原子，R4：例如C1-C6烷基，R5：例如氢原子，R6a、R6b、R6c、R6d：例如氢原子，R7：例如氢原子，R8：例如氢原子，n1、n2、n3：例如1。

  公开号：

  US20200347030A1

文献信息

• 2,5-取代基-1,3,4-噁（噻）二唑硫醚类衍生物、其制备方法及应用
  申请人：贵州大学

  公开号：CN106432125A

  公开（公告）日：2017-02-22

  本发明公开了一种2,5‑取代基‑1,3,4‑噁（噻）二唑硫醚类衍生物、其制备方法及应用，其通式如下：(I)其中：R1为4‑氯苯基、4‑氟苯基、4‑甲基苯基、4‑甲氧基苯基、4‑硝基苯基、4‑氰基‑3,5‑二氟苯基、4‑三氟甲基苯基、4‑三氟甲氧基苯基、4‑叔丁基苯基、2‑氟苯基等取代基；R2为甲基、乙基、4‑氯苄基、2,4‑二氯苄基、4‑三氟甲氧基、苄基、4‑氟苄基、4‑氯苄基等取代基；X为O或S。本发明的化合物可用作杀农作物线虫和抑制作物细菌性病的药物。
• Synthesis and larvicidal activity of 1,3,4-oxadiazole derivatives containing a 3-chloropyridin-2-yl-1H-pyrazole scaffold
  作者：Yanyan Wang、Xiumian Lu、Jun Shi、Jiahong Xu、Fenghua Wang、Xiao Yang、Gang Yu、Zhiqian Liu、Chuanhui Li、Ali Dai、Yonghui Zhao、Jian Wu

  DOI：10.1007/s00706-017-2060-3

  日期：2018.3

  AbstractA new series of 1,3,4-oxadiazole derivatives with a 3-chloropyridin-2-yl-1H-pyrazole moiety was designed, synthesized, and characterized. The results of bioassay against Helicoverpa armigera and Plutella xylostella indicated that some of the synthesized compounds showed remarkable larvicidal activity. In particular, the LC50 values of the most active compounds against P. xylostella were 46

  摘要设计，合成和表征了具有3-氯吡啶-2--2-基-1 H-吡唑部分的一系列新的1,3,4-恶二唑衍生物。对棉铃虫和小菜蛾的生物测定结果表明，一些合成的化合物显示出显着的杀幼虫活性。特别是，对小菜蛾的最具活性的化合物的LC 50值为46.5、23.9和13.9 mg / dm 3，对棉铃虫的最有效化合物的LC 50值为88.3和69.5 mg / dm 3，后者比商品毒死rif稍好一些（ LC 50 103.77 mg / dm 3）。还讨论了初步SAR。 图形概要
• Synthesis, Nematicidal Activity, and 3D-QSAR of Novel 1,3,4-Oxadiazole/ Thiadiazole Thioether Derivatives
  作者：Jixiang Chen、Xiuhai Gan、Chongfen Yi、Shaobo Wang、Yuyuan Yang、Fangcheng He、Deyu Hu、Baoan Song

  DOI：10.1002/cjoc.201800282

  日期：2018.10

  Forty one novel 1,3,4‐oxadiazole/thiadiazole thioether derivatives containing phenoxy moiety were designed and synthesized. Bioassay demonstrated that some of them showed remarkable activities against Tylenchulus semipenetrans in vitro and in vivo. Compounds 20, 21, 35 and 39 showed excellent lethal activities after treatment for 48 h in vitro, with LC50 values of 13.4 ± 1.8, 11.7 ± 2.5, 13.7 ± 2.4

  设计并合成了41种新颖的含苯氧基的1,3,4-恶二唑/噻二唑硫醚衍生物。生物测定表明，他们中的一些表现出显着的抵抗活动半穿刺 在体外和体内。化合物20，21，35和39表现出优异的致死活性治疗48小时后在体外，用LC 50倍·L 13.4±1.8的值，11.7±2.5，13.7±2.4和13.3±1.1毫克-1，分别，将其明显优于邻苯二甲酸酯（49.1±2.8 mg·L –1）和阿维菌素（26.6±2.3 mg·L –1）。化合物21可以在200 mg·L –1的体内有效地控制由T. semipenetrans引起的柑橘线虫病，其抑制作用为（68±3）％，甚至优于阿维菌素（（63±2）％）。建立了三维定量结构-活性关系（3D-QSAR）的CoMFA和CoMSIA模型。化合物33是根据3D-QSAR模型设计的，在体外（LC 50  = 9.8±1.4 mg·L –1）和体内（（70±5）％）
• A convenient synthesis of novel 7-phosphonylbenzyl-2-substituted pyrazolo[4,3-<i>e</i>]-1,2,4-triazolo[1,5-<i>c</i>]-pyrimidine derivatives
  作者：Lin-Xia Xiao、Ke Li、Liu Meng、De-Qing Shi

  DOI：10.1002/hc.20478

  日期：2008.9

  A series of pyrazolo[4,3-e]-1,2,4-triazolo-[1,5-c]pyrimidine derivatives, bearing phosphonylbenzyl chain in position 7, were conveniently synthesized in an attempt to obtain potent and selective antagonists for the A2A adenosine receptor or potent pesticide lead compounds. Diethyl[(5-amino-4-cyano-3-methylsulfanyl-pyrazol-1-yl)-benzyl]phospho-nate (3), which was prepared by the cyclization of diethyl

  一系列在第 7 位带有膦酰基苄基链的吡唑并[4,3-e]-1,2,4-三唑并-[1,5-c]嘧啶衍生物被方便地合成，以试图获得有效和选择性的拮抗剂。 A2A 腺苷受体或有效的农药先导化合物。[(5-氨基-4-氰基-3-甲基硫烷基-吡唑-1-基)-苄基]膦酸二乙酯 (3)，由 1-肼基苄基膦酸二乙酯 (1) 与 2-[bis (甲硫基)亚甲基]丙二腈(2)，与原甲酸三乙酯反应得到[(4-氰基-5-乙氧基亚甲基氨基-3-甲基硫基-吡唑-1-基)-苄基]膦酸二乙酯(4)，与各种酰基反应肼在回流的 2-甲氧基乙醇中以良好的收率得到目标化合物 5a-h。它们的结构经IR、1H NMR、13C NMR、MS和元素分析证实。5e 的晶体结构由单晶 X 射线衍射确定 © 2008 Wiley Periodicals, Inc. Heteroatom Chem 19:634–638, 2008; 在线发表于
• Synthesis and herbicidal activity of novel 1,2,4-triazole derivatives containing fluorine, phenyl sulfonyl and pyrimidine moieties
  作者：Lingyun Yang、Yi Sun、Linghui He、Yujia Fan、Tao Wang、Jin Luo

  DOI：10.1016/j.molstruc.2022.132722

  日期：2022.7

  pyrimidine-5-carbonitrile Ι were employed as the starting materials to synthesize a novel series of 1,2,4-triazole derivatives containing fluorine, phenyl sulfonyl and pyrimidine moieties Ⅳ-1∼Ⅳ-39. The preliminary bioassay indicated that many newly synthesized compounds exhibited moderate to good herbicidal activities against the monocotyledons (Echinochloa crusgalli, Sorghum bicolor) and dicotyledons (Raphanus sativus

  本研究以4-氨基-2-(烷硫基)-6-(甲硫基)嘧啶-5-甲腈为原料合成了一系列含氟、苯磺酰基的新型1,2,4-三唑衍生物。和嘧啶部分Ⅳ-1 ∼ Ⅳ-39。初步生物测定表明，许多新合成的化合物在100 mg·L 的浓度下对单子叶植物（ Echinochloa crusgalli、Sorghum bicolor）和双子叶植物（Raphanus sativus、Brassica campestris、Cucumis sativus和Medicago sativa ）表现出中等至良好的除草活性- 1和10 mg·L -1。特别是化合物（Ⅳ-8) 表现出良好的除草活性，在浓度为 100 mg·L -1时对芸苔、黄瓜和紫花苜蓿具有 100% 的抑制作用。