4-甲氧基-n-甲基-2-硝基苯胺 | 3360-79-0

• 物质功能分类: 有机原料 - 醚类化合物及其衍生物
• 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-甲氧基-n-甲基-2-硝基苯胺
• 中文别名: 4-甲氧基-N-甲基-2-硝基苯胺
• 英文名称: N-methyl-4-methoxy-2-nitroaniline
• 英文别名: 4-methoxy-N-methyl-2-nitroaniline；2-nitro-4-methoxy-N-methylaminobenzene；4-Methoxy-N-methyl-2-nitrobenzenamine
• CAS: 3360-79-0
• 化学式: C₈H₁₀N₂O₃
• mdl: MFCD00962666
• 分子量: 182.179
• InChiKey: ZSLKWYWZKYPLHX-UHFFFAOYSA-N

物化性质

• 熔点：
  97-98 °C(Solv: ethanol (64-17-5))
• 沸点：
  333.1±32.0 °C(Predicted)
• 密度：
  1.258±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 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：
  67.1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2922299090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Methoxy-N-methyl-2-nitroaniline
Synonyms: 4-Methoxy-N-methyl-2-nitrobenzenamine

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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: 4-Methoxy-N-methyl-2-nitroaniline
CAS number: 3360-79-0

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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: C8H10N2O3
Molecular weight: 182.2

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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-n-甲基-2-硝基苯胺 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 25.0 ℃ 、202.65 kPa 条件下， 生成 1-(2-Amino-4-methoxy-phenyl)-1,3-dimethyl-urea
  参考文献：
  名称：

  Synthesis and Stability of 5-, 7- and 8-Substituted Benzo-1,2,3,5-tetrazepin-4-ones

  摘要：

  DOI：

  10.3987/com-98-8108
• 作为产物：
  描述：

  4-甲氧基-2-硝基乙酰苯胺 在 氢氧化钾 作用下， 以 乙醇 、 水 、 丙酮 为溶剂， 反应 1.5h， 生成 4-甲氧基-n-甲基-2-硝基苯胺
  参考文献：
  名称：

  Wilshire, John F. K., Australian Journal of Chemistry, 1982, vol. 35, # 12, p. 2497 - 2504

  摘要：

  DOI：
• 作为试剂：
  描述：

  2-硝基-4-甲氧基苯胺 、 sodium;hydride 、 碘甲烷 在 ice water 、 乙酸乙酯 、 Brine 、 Sodium sulfate-III 、 4-甲氧基-n-甲基-2-硝基苯胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以to afford the title compound (4-methoxy-2-nitro-phenyl)-methyl-amine as a red solid的产率得到4-甲氧基-n-甲基-2-硝基苯胺
  参考文献：
  名称：

  ALDOSTERONE SYNTHASE INHIBITORS

  摘要：

  该发明涉及结构式（I）的化合物及其药学上可接受的盐。该发明的化合物能够有效地选择性抑制CYP11B2，因此可用于治疗或预防与升高的醛固酮水平相关的疾病，包括但不限于高血压和心力衰竭。

  公开号：

  US20130317057A1

文献信息

• Npy antagonists, preparation and uses
  申请人：Botez Iuliana

  公开号：US20090233910A1

  公开（公告）日：2009-09-17

  The present invention concerns novel compounds, their preparation and their uses, therapeutic uses in particular. More specifically it concerns derivative compounds having at least two aromatic cycles, their preparation and their uses, in particular in the area of human or animal health. These compounds have an affinity for the biological receptors of neuropeptide Y, NPY, present in the central and peripheral nervous systems. The compounds of the invention are preferably NPY antagonists, and more particularly antagonists of sub-type NPY Y1, and can therefore be used for the therapeutic or prophylactic treatment of any disorder involving NPY. The present invention also concerns pharmaceutical compositions containing said compounds, their preparation and their uses, as well as treatment methods using said compounds.

  本发明涉及新颖化合物，它们的制备和用途，特别是在治疗方面的用途。更具体地说，它涉及至少具有两个芳香环的衍生化合物，它们的制备和用途，特别是在人类或动物健康领域。这些化合物对存在于中枢和外周神经系统中的神经肽Y（NPY）的生物受体具有亲和力。本发明的化合物优选为NPY拮抗剂，更具体地说是NPY Y1亚型的拮抗剂，因此可用于治疗或预防涉及NPY的任何疾病。本发明还涉及含有所述化合物的药物组合物，其制备和用途，以及使用所述化合物的治疗方法。
• Benzimidazole derivatives, their preparation and their therapeutic use
  申请人：Sankyo Company, Limited

  公开号：US05886014A1

  公开（公告）日：1999-03-23

  Compounds of formula (I): ##STR1## \x9bwherein: X represents an optionally substituted benzimidazole group; Y represents an oxygen or sulfur atom; Z represents a 2,4-dioxothiazolidin-5-ylidenylmethyl, 2,4-dioxothiazolidin-5-ylmethyl, 2,4-dioxooxazolidin-5-ylmethyl, 3,5-dioxooxadiazolidin-2-ylmethyl or N-hydroxyureidomethlyl group; R represents hydrogen, alkyl, alkoxy, halogen, hydroxy, nitro, amino or aralkyl; and m is an integer from 1 to 5!; have valuable activity for the treatment and/or prophylaxis of a variety of disorders, including one or more of: hyperlipemia, hyperglycemia, obesity, impaired glucose tolerance (IGT), insulin resistance and diabetic complications.

  式(I)的化合物：##STR1##其中：X代表可选择取代的苯并咪唑基团；Y代表氧或硫原子；Z代表2,4-二氧代噻唑啉-5-基甲基、2,4-二氧代噻唑啉-5-基甲基、2,4-二氧代噻唑啉-5-基甲基、3,5-二氧代噻唑啉-2-基甲基或N-羟基脲基甲基基团；R代表氢、烷基、烷氧基、卤素、羟基、硝基、氨基或芳基烷基；m为1到5的整数；对于治疗和/或预防多种疾病，包括高脂血症、高血糖症、肥胖、糖耐量受损（IGT）、胰岛素抵抗和糖尿病并发症具有有价值的活性。
• Cu-Catalyzed C–H Allylation of Benzimidazoles with Allenes
  作者：Yaxi Dong、Bernhard Breit

  DOI：10.1021/acs.orglett.1c02346

  日期：2021.9.3

  CuH-catalyzed intramolecular cyclization and intermolecular allylation of benzimidazoles with allenes have been described. The reaction proceeded smoothly with the catalytic system of Cu(OAc)2/Xantphos and catalytic amount of (MeO)2MeSiH. This protocol features mild reaction conditions and a good tolerance of substrates bearing electron-withdrawing, electron-donating, or electron-neutral groups. A

  已经描述了 CuH 催化的苯并咪唑与丙二烯的分子内环化和分子间烯丙基化。在Cu(OAc) 2 /Xantphos的催化体系和催化量的(MeO) 2 MeSiH的作用下，反应顺利进行。该协议具有温和的反应条件和对带有吸电子、给电子或电子中性基团的底物的良好耐受性。针对该氢化铜催化体系提出了一种新的催化机理。
• ＩＲＥ−１αインヒビター
  申请人：マンカインド コーポレ−ション

  公开号：JP2015214548A

  公开（公告）日：2015-12-03

  【課題】インビトロでイノシトール要求性酵素1（IRE-1α活性）を直接阻害する化合物、それらのプロドラッグ及び薬学的に許容可能な塩の提供。【解決手段】式（Ａ）で表される化合物。[Ｒ３及びＲ４はＨ等；Ｑ５〜Ｑ８はこれらが結合しているベンゼン環と一緒になってベンゾ縮合環を形成し、Ｑ５〜Ｑ８のうち少なくとも1つは、Ｎ、Ｓ、及びＯより選択されるヘテロ原子]【選択図】なし

  这是一个关于直接抑制肝细胞内胞外信号调节激酶1（IRE-1α）活性的化合物、它们的前药以及药学上可接受的盐的提供的问题。这些化合物由式（A）表示。[R3和R4是H等；Q5〜Q8与它们结合形成苯环并形成苯并环，Q5〜Q8中至少有一个是从N、S和O中选择的杂原子]【选择图】无
• Reaction of a molybdenum hydrazido(2–-) complex with silver nitrate in alcohols. Novel variant of the Bamberger reaction involving concomitant N-nitrosation
  作者：Marc M. Baum、Edward H. Smith

  DOI：10.1039/c39910000431

  日期：——

  Treatment of dichlorobis(dimethyldithiocarbamato)[N-methyl-N-phenylhydrazido(2–)-N′]molybdenum(VI) with silver nitrate (3.3 equiv.) in alcoholic solvents results in cleavage of the hydrazido ligand from the metal to form p-alkoxyaniline derivatives.

  在醇溶剂中，使用硝酸银（3.3当量）处理双(二甲基二硫代氨基甲酸)[N-甲基-N-苯基肼基(2−)-N′]钼(VI)，会导致肼基配体从金属上断裂，形成对烷氧基苯胺衍生物。