N,N-二异丙基-3-甲氧基苯胺 | 7000-87-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N,N-二异丙基-3-甲氧基苯胺
• 英文名称: N,N-diisopropyl-3-methoxyaniline
• 英文别名: 3-methoxy-N,N-di(propan-2-yl)aniline
• CAS: 7000-87-5
• 化学式: C₁₃H₂₁NO
• 分子量: 207.316
• InChiKey: INFATYDKHXGDIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2922299090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N,N-Diisopropyl-3-methoxyaniline
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: N,N-Diisopropyl-3-methoxyaniline
CAS number: 7000-87-5

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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: C13H21NO
Molecular weight: 207.3

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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

• 作为产物：
  描述：

  三氟甲磺酸2-甲氧基苯基酯 、 二异丙胺 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 1.17h， 以95%的产率得到N,N-二异丙基-3-甲氧基苯胺
  参考文献：
  名称：

  芳基三氟甲磺酸酯的阴离子硫杂-弗里斯重排。

  摘要：

  芳基三氟甲磺酸酯经历LDA介导的重排，生成邻羟基芳基三氟甲基砜。在某些情况下，可以控制重排和芳烃生成之间的分配。

  DOI：

  10.1039/b210648e

文献信息

• [EN] INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE<br/>[FR] INHIBITEURS DE LA CYSTATHIONINE BÊTA SYNTHASE UTILISABLES EN VUE DE LA RÉDUCTION DE LA SURPRODUCTION NEUROTOXIQUE DE SULFURE D'HYDROGÈNE ENDOGÈNE
  申请人：FOND JEROME LEJEUNE

  公开号：WO2013068592A1

  公开（公告）日：2013-05-16

  The invention is directed to inhibitors of cystathionine beta synthase which, among other biochemical effects, allow reduction of the neurotoxic overproduction of endogenous hydrogen sulphide. These compounds and pharmaceutical compositions containing them are useful for the prevention and treatment of cognitive disorders such as cognitive disorders in Down syndrome. The invention also relates to methods for preventing or treating cognitive disorders including cognitive disorders in Down Syndrome.

  本发明涉及胱硫醚β合酶抑制剂，除其他生化作用外，还允许减少内源性硫化氢的神经毒性过度产生。这些化合物以及含有它们的药物组合物对于预防治疗认知障碍，如下氏综合症中的认知障碍等是有用的。本发明还涉及用于预防或治疗认知障碍的方法，包括下氏综合症中的认知障碍。
• Benzyne generation from aryl triflates
  作者：Peter P. Wickham、Kevin H. Hazen、Hong Guo、Garth Jones、Kelly Hardee Reuter、William J. Scott

  DOI：10.1021/jo00006a016

  日期：1991.3

  The use of aryl triflates to form arynes as reactive intermediates is described. This allows the first general use of phenols as aryne precursors. Phenyl triflate reacts with LDA at - 78-degrees-C to form benzyne, which then reacts with diisopropylamine generating N,N-diisopropylaniline. Yields of diisopropylarylamines from aryne intermediates are superior to those previously reported. Regioisomeric ratios are similar to those obtained with use of other benzyne precursors.
• WICKHAM, PETER P.;HAZEN, KEVIN H.;GUO, HONG;JONES, GARTH;REUTER, KELLY HA+, J. ORG. CHEM., 56,(1991) N, C. 2045-2050
  作者：WICKHAM, PETER P.、HAZEN, KEVIN H.、GUO, HONG、JONES, GARTH、REUTER, KELLY HA+

  DOI：——

  日期：——