(4-甲氧基苯氧基)-乙酸肼 | 21953-91-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: (4-甲氧基苯氧基)-乙酸肼
• 中文别名: 2-(4-甲氧基苯氧基)乙烷肼
• 英文名称: (4-methoxyphenoxy)acetic acid hydrazide
• 英文别名: 2-(4-methoxyphenoxy)acetohydrazide
• CAS: 21953-91-3
• 化学式: C₉H₁₂N₂O₃
• mdl: MFCD00245282
• 分子量: 196.206
• InChiKey: FHYDKLWLDUMAIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  73.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2928000090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312+P330,P302+P352,P304+P340+P312,P305+P351+P338,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(4-Methoxyphenoxy)acetohydrazide
Synonyms:

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

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Section 3. Composition/information on ingredients.
Ingredient name: 2-(4-Methoxyphenoxy)acetohydrazide
CAS number: 21953-91-3

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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.

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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.

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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.

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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:

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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.

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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: C9H12N2O3
Molecular weight: 196.2

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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.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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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.

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

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  (4-甲氧基苯氧基)-乙酸肼 在 三氯氧磷 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 生成
  参考文献：
  名称：

  具有分子多样性的新型 1,3,4-Oxadiazole-2-carbohydrazides 的设计、合成和生物学特征

  摘要：

  为了不断扩大1,3,4-恶二唑-2-甲酰肼的分子多样性，本文将小片段（包括-CH 2 -、-OCH 2 - 和-SCH 2 -）掺入目标化合物中以筛选出潜在的琥珀酸脱氢酶抑制剂（SDHIs）。生物测定结果表明，对核盘菌、葡萄球菌、尖孢镰刀菌和炭疽病菌的抗真菌作用（以EC 50表示）可达1.29（10a）、0.63（8h）、1.50（10i）和2.09（10i ）。) μg/mL，略低于多菌灵（EC 50分别为 0.69、0.13、0.55 和 0.80 μg/mL）。特别是化合物10h对玉米赤霉( G.z. )具有极强的生物活性，EC 50值为0.45 μg/mL。该结果优于氟吡菌酰胺（3.76 μg/mL），与丙氯嗪（0.47 μg/mL）相似。针对玉米黑星病（G.z.感染）的体内试验表明，化合物10h在200 μg/mL时的防治活性为86.8%，优于啶酰菌胺（79.6%）。进一步研究发现化合物10h可以抑制G

  DOI：

  10.1021/acs.jafc.1c07190
• 作为产物：
  描述：

  对甲氧基苯氧乙酸 在 一水合肼 、 乙酰氯 作用下， 以 乙醇 为溶剂， 反应 24.0h， 生成 (4-甲氧基苯氧基)-乙酸肼
  参考文献：
  名称：

  新型8-羟基喹啉衍生物及其Eu（III）配合物的合成与发光性能

  摘要：

  以2-甲基-8-羟基喹啉和对位取代苯酚为主要原料合成了六种新颖的8-羟基喹啉衍生物，并通过1 H核磁共振（NMR），质谱（MS），紫外（UV）进行了表征光线分析和红外（IR）光线分析。还制备了它们与Eu（III）的配合物，并通过元素分析，摩尔电导率，UV光分析，IR光分析和热重-差热分析（​​TG-DTA）对其进行了表征。结果表明，该配体与Eu（III）离子配位良好，并具有优异的热稳定性。靶复合物的结构是EuY 1-6（NO 3）3 ·2H 2O.研究了目标配合物的发光性能，结果表明所有目标配合物均具有良好的发光性能，并且给电子基团的引入可增强相应配合物的发光强度，但添加电子退出组的效果相反。在所有目标络合物中，甲氧基取代的络合物（–OCH 3）的荧光强度最高，而硝基取代的络合物（–NO 2）的荧光强度最弱。结果表明，8-羟基喹啉衍生物对Eu（III）离子具有良好的能量转移效率。所有目标复

  DOI：

  10.1002/bio.3482

文献信息

• Synthesis and in-vitro antimicrobial activity of new 1,2,4-triazoles
  作者：A R Bhat、G Varadaraj Bhat、G Gautham Shenoy

  DOI：10.1211/0022357011775307

  日期：2010.2.18

  described the synthesis of new 1,2,4-triazoles and have evaluated their antimicrobial profile. Antitubercular activity was determined in triplicate using the Lowenstein-Jensen medium. A loopful of Mycobacterium tuberculosis suspension was inoculated on the surface of each Lowenstein-Jensen media containing the test compounds (100, 10 or 1 microg mL(-1)). To evaluate in-vitro antibacterial activity, compounds

  我们已经描述了新的1,2,4-三唑的合成，并评估了它们的抗菌特性。使用Lowenstein-Jensen培养基一式三份确定抗结核活性。在含有测试化合物（100、10或1微克mL（-1））的每种Lowenstein-Jensen培养基的表面上接种一圈结核分枝杆菌悬液。为了评估体外抗菌活性，通过圆盘扩散法对枯草芽孢杆菌，大肠杆菌，铜绿假单胞菌，金黄色葡萄球菌和伤寒葡萄球菌评估了化合物（50、5或0.5微克）。为了评估抗真菌活性，使用了Sabourauds葡萄糖琼脂培养基。筛选了某些化合物（5、0.5或0.05微克mL（-1））的抗黑曲霉88和黑曲霉90的活性，而其他化合物则抗T的活性。使用杯板法将红花TR1，红花R.R6，红花R7和薄荷茶T. 我们的结果表明，与在分子4位具有吡嗪部分的三唑相比，在3位具有吡嗪部分的三唑作为抗结核剂和抗真菌剂更具活性。
• Expedient discovery for novel antifungal leads: 1,3,4-Oxadiazole derivatives bearing a quinazolin-4(3H)-one fragment
  作者：Xiaobin Wang、Jianqi Chai、Xiangyi Kong、Fei Jin、Min Chen、Chunlong Yang、Wei Xue

  DOI：10.1016/j.bmc.2021.116330

  日期：2021.9

  Developing novel fungicide candidates are intensively promoted by the rapid emergences of resistant fungi that outbreak on agricultural production. Aiming to discovery novel antifungal leads, a series of 1,3,4-oxadiazole derivatives bearing a quinazolin-4(3H)-one fragment were constructed for evaluating their inhibition effects against phytopathogenic fungi in vitro and in vivo. Systematically structural

  农业生产中爆发的抗性真菌的迅速出现，极大地促进了新型杀菌剂候选物的开发。为了发现新的抗真菌先导物，构建了一系列带有 quinazolin-4(3 H )-one 片段的 1,3,4-恶二唑衍生物，用于评估它们在体外和体内对植物病原真菌的抑制作用。生成系统的结构的优化的生物活性分子余32所识别作为对有希望的抑制剂纹枯病与体内200 μg/mL 时的预防效果为 58.63%。扫描电镜和透射电镜观察表明，生物活性分子I 32可以诱导菌丝的蔓延生长、菌丝表面的局部收缩和破裂、液泡的极度膨胀、细胞壁的显着变形、以及线粒体数量的减少。上述结果为发现带有喹唑啉-4(3 H )-one 和1,3,4-恶二唑片段的抗真菌先导物提供了不可或缺的补充。
• Synthesis of oxadiazole–morpholine derivatives and manifestation of the repressed CD31 Microvessel Density (MVD) as tumoral angiogenic parameters in Dalton’s Lymphoma
  作者：Mohammed Al-Ghorbani、V. Vigneshwaran、V. Lakshmi Ranganatha、B.T. Prabhakar、Shaukath Ara Khanum

  DOI：10.1016/j.bioorg.2015.04.008

  日期：2015.6

  A series of oxadiazole derivatives possessing morpholine 6a–l were synthesized by nucleophilic substitution reaction of key intermediates [1,3,4]-oxadiazole-2-thiol derivatives 5a–l with 4-(2-chloroethyl) morpholine. Compounds 6a–l were evaluated for their in vitro and in vivo antitumor potential in Dalton’s Lymphoma Ascites (DLA) tumor cells. Among 6a–l series, compound 6a with concentration ∼8.5 μM

  通过关键中间体[1,3,4]-恶二唑-2-硫醇衍生物5a-1与4-（2-氯乙基）吗啉的亲核取代反应，合成了一系列具有吗啉6a-1的恶二唑衍生物。对化合物6a–l在道尔顿淋巴瘤腹水（DLA）肿瘤细胞中的体外和体内抗肿瘤潜力进行了评估。其中图6a-1系列，化合物6A与浓度~8.5μM显示广泛的细胞毒性在体外的肿瘤体积和85％的减少体内，归因针对癌细胞优异的抗增殖能力。化合物6a已广泛抑制了微血管密度（MVD）或肿瘤新脉管系统，这从CD31免疫染色和腹膜H＆E染色可见一斑。化合物6a的抗增殖活性的主要原因是由于肿瘤脉管系统的抑制。
• Synthesis and xanthine oxidase inhibitory activity of 7-methyl-2-(phenoxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one derivatives
  作者：K.R. Sathisha、Shaukath A. Khanum、J.N. Narendra Sharath Chandra、F. Ayisha、S. Balaji、Gopal K. Marathe、Shubha Gopal、K.S. Rangappa

  DOI：10.1016/j.bmc.2010.11.034

  日期：2011.1

  gastrointestinal upset, skin rashes and hypersensitivity reactions. Moreover, an elevated level of uric acid is considered as an independent risk factor for cardiovascular diseases. Therefore use of allopurinol-like drugs with minimum side effects is the ideal drug of choice against gout. In this study, we report the synthesis of a series of pyrimidin-5-one analogues as effective and a new class of xanthine oxidase

  血尿酸水平升高（高尿酸血症）是痛风的根本原因。黄嘌呤氧化酶是催化次黄嘌呤氧化为黄嘌呤然后变为尿酸的关键酶。别嘌醇是一种广泛使用的黄嘌呤氧化酶抑制剂，是治疗痛风的最常用药物。但是，一小部分人却遭受别嘌醇的不良影响，包括胃肠道不适，皮疹和超敏反应。此外，尿酸水平升高被认为是心血管疾病的独立危险因素。因此，使用副作用最小的类别嘌呤醇类药物是对抗痛风的理想药物选择。在这项研究中，我们报告了一系列有效的嘧啶5一类似物和一类新的黄嘌呤氧化酶抑制剂的合成。所有合成的嘧啶-5-酮类似物均通过光谱技术和元素分析进行​​表征。四（在该类别的20个合成分子中，图6a，6b，6d和6f）显示出对三种不同的黄嘌呤氧化酶的良好抑制作用，基于它们各自的IC 50值，它们比别嘌呤醇更有效。分子建模和对接研究表明，分子6a与黄嘌呤氧化酶的关键成分钼－氧－硫（MOS）复合物具有很好的相互作用。这些结果突出了鉴定出一种新型的黄
• 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。