1-甲氧基-2-(4-硝基苯氧基)苯 | 32795-85-0

• 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: 1-甲氧基-2-(4-硝基苯氧基)苯
• 中文别名: 2-(对硝基苯氧基)苯甲醚
• 英文名称: 2-methoxy-4'-nitrodiphenyl ether
• 英文别名: 1-methoxy-2-(4-nitrophenoxy)benzene；o-(p-Nitrophenoxy)anisole
• CAS: 32795-85-0
• 化学式: C₁₃H₁₁NO₄
• 分子量: 245.235
• InChiKey: OOSBNKMKKNIQAN-UHFFFAOYSA-N

物化性质

• 熔点：
  101-102 °C
• 沸点：
  352.9±17.0 °C(Predicted)
• 密度：
  1.252±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  64.3
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2909309090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Methoxy-2-(4-nitrophenoxy)benzene
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: 1-Methoxy-2-(4-nitrophenoxy)benzene
CAS number: 32795-85-0

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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.
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: C13H11NO4
Molecular weight: 245.2

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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：

  1-甲氧基-2-(4-硝基苯氧基)苯 在 溴 、 溶剂黄146 作用下， 生成 3-溴-6-甲氧基-1-(4-硝基苯氧基)苯
  参考文献：
  名称：

  151.取代为2-甲氧基-硝基二苯醚

  摘要：

  DOI：

  10.1039/jr9340000705
• 作为产物：
  描述：

  4-nitrobenzenediazonium tetrafluoroborate 以 环丁砜 为溶剂， 反应 7.0h， 生成 1-甲氧基-2-(4-硝基苯氧基)苯
  参考文献：
  名称：

  Aryloxenium ions. Generation from N-(aryloxy)pyridinium tetrafluoroborates and reaction with anisole and benzonitrile

  摘要：

  DOI：

  10.1021/ja00405a043

文献信息

• Synthesis of Diaryl Ethers, Diaryl Sulfides, Heteroaryl Ethers and Heteroaryl Sulfides under Microwave Dielectric Heating
  作者：Quanrui Wang、Feng Li、Qingqing Meng、Huansheng Chen、Zhiming Li、Fenggang Tao

  DOI：10.1055/s-2005-865321

  日期：——

  This paper describes the synthesis of diaryl ethers and sulfides by utilizing microwave heating methodology. The methodology is shown to be rapid and efficient for the coupling of phenols or thiophenol with electron-deficient aryl halides through a SNAr reaction. The scope of the protocol can be expanded to six-membered heterocycles bearing a hydroxyl group as well as to the reaction of 2-pyrimidinethiol with mildly activated aryl halides, providing heteroaryl ethers and sulfides, respectively. The advantages of the present method include the wide substrate scope, the obviation of metal catalysts, ease of product isolation, and high purity of products.

  本文描述了利用微波加热技术合成二芳基醚和硫化物的方法。该方法在芳基卤与缺电子酚或苯硫酚的SNAr反应中表现出快速、高效的特点。该方法的应用范围可扩展到含有羟基的六元杂环化合物，以及2-嘧啶硫醇与适度活化的芳基卤的反应，分别得到杂芳基醚和硫化物。目前方法的优势包括广泛的底物适用性、无需金属催化剂、产品分离简便以及高纯度。
• Structural Optimization and Structure–Activity Relationship of 4-Thiazolidinone Derivatives as Novel Inhibitors of Human Dihydroorotate Dehydrogenase
  作者：Fanxun Zeng、Lina Quan、Guantian Yang、Tiantian Qi、Letian Zhang、Shiliang Li、Honglin Li、Lili Zhu、Xiaoyong Xu

  DOI：10.3390/molecules24152780

  日期：——

  and anti-leukemic drugs. The development of promising hDHODH inhibitors is in high demand. Based on the unique binding mode of our previous reported 4-thiazolidinone derivatives, via molecular docking method, three new series 4-thiazolidinone derivatives were designed and synthesized as hDHODH inhibitors. The preliminary structure–activity relationship was investigated. Compound 9 of biphenyl series

  人类二氢乳清酸脱氢酶（hDHODH）是开发免疫抑制药物的有吸引力的靶标之一，也是抗癌药物和抗白血病药物的潜在靶标。开发有前景的 hDHODH 抑制剂的需求量很大。基于我们之前报道的4-噻唑烷酮衍生物的独特结合模式，通过分子对接方法，设计并合成了三个新系列的4-噻唑烷酮衍生物作为hDHODH抑制剂。研究了初步的构效关系。联苯系列化合物9和酰胺系列化合物37的IC50值分别为1.32 μM和1.45 μM。该研究将为hDHODH抑制剂新结构的研究提供有价值的参考。
• Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders
  申请人：——

  公开号：US20040209886A1

  公开（公告）日：2004-10-21

  Disclosed are pyrrolopyridazine compounds, methods of preparing such compounds, and their use for the treatment of proliferative, inflammatory, and other disorders.

  揭示了吡咯吡啶并嗪化合物，制备这类化合物的方法，以及它们用于治疗增殖性、炎症性和其他疾病的用途。
• Discovery of 1,2,4-triazole-1,3-disulfonamides as dual inhibitors of mitochondrial complex II and complex III
  作者：Hua Cheng、Yan-Qing Shen、Xia-Yan Pan、Yi-Ping Hou、Qiong-You Wu、Guang-Fu Yang

  DOI：10.1039/c5nj00215j

  日期：——

  1,2,4-Triazole-1,3-disulfonamide derivatives as dual function inhibitors of mitochondrial complex II (SQR) and complex III (cytbc₁) were discovered.

  1,2,4-三唑-1,3-二磺酰胺衍生物被发现具有线粒体复合物II（SQR）和复合物III（细胞色素bc1）的双功能抑制剂作用。
• Nickel-Catalyzed C-O Cross-Coupling Reaction at Low Catalytic Loading with Weak Base Participation
  作者：Fan Wu、Kejie Zhu、Guolin Wu、Yu Gao、Haijun Chen

  DOI：10.1002/ejoc.201901851

  日期：2020.1.31

  A series of diaryl ethers have been synthesized through nickel‐catalyzed C–O cross coupling by using a low dosage NiCl2(PPh3)2 and weak base KHCO3 under mild conditions.

  在温和的条件下，通过使用低剂量的NiCl 2（PPh 3）2和弱碱KHCO 3，通过镍催化的C-O交叉偶联合成了一系列二芳基醚。