3-(3,5-二甲基苯基)苯胺 | 783325-73-5

• 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: 3-(3,5-二甲基苯基)苯胺
• 英文名称: 3-amino-3',5'-dimethylbiphenyl
• 英文别名: 3-(3,5-dimethylphenyl)aniline
• CAS: 783325-73-5
• 化学式: C₁₄H₁₅N
• 分子量: 197.28
• InChiKey: TURLSKOYQKDDNX-UHFFFAOYSA-N

物化性质

• 沸点：
  350.9±21.0 °C(Predicted)
• 密度：
  1.040±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921499090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-(3,5-Dimethylphenyl)aniline
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: 3-(3,5-Dimethylphenyl)aniline
CAS number: 783325-73-5

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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: C14H15N
Molecular weight: 197.3

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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

• 作为反应物：
  描述：

  3-(3,5-二甲基苯基)苯胺 在 copper(I) oxide 、 potassium carbonate 、 copper(II) oxide 、 三溴氧磷 作用下， 以 乙二醇甲醚 为溶剂， 反应 4.0h， 生成 9-bromo-3-(3',5'-dimethylphenyl)acridine
  参考文献：
  名称：

  Enantioselective Sensing of Chiral Carboxylic Acids

  摘要：

  A chiral 1,8-diacridylnaphthalene-derived fluorosensor has been prepared and used for enantioselective sensing of a broad variety of chiral carboxylic acids including amino acids, aliphatic acids, arylalkanoic acids, and halogenated carboxylic acids. Fluorescence titration experiments in acetonitrile gave linear Stern-Volmer plots for 1:1 and 1:2 complexes and enantioselectivities up to 4.5.

  DOI：

  10.1021/ja0459781
• 作为产物：
  描述：

  3,5-二甲基苯硼酸 、 间溴苯胺 在 tris-(dibenzylideneacetone)dipalladium(0) 、 三叔丁基膦 cesium fluoride 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以99%的产率得到3-(3,5-二甲基苯基)苯胺
  参考文献：
  名称：

  Chiral 1,8-Diarylnaphthalenes, Methods of Making Them, and Their Use as Sensors

  摘要：

  该发明的一个方面涉及1,8-二芳基萘化合物。在某些实施例中，该发明的化合物是1,8-二芳基萘的N-氧化物。在某些实施例中，芳基是一个可选择取代的吖啶基。在某些实施例中，该发明的化合物是一个单对映体。在某些实施例中，该发明的化合物是一个单对映异构体。本发明的另一个方面涉及通过监测样品中该发明的化合物的荧光来检测样品中存在的分析物的方法。在某些实施例中，分析物是金属离子。本发明的另一个方面涉及通过在分析物存在的情况下监测该发明的化合物的荧光来确定分析物的对映体纯度的方法。在某些实施例中，分析物是能够进行氢键结合的化合物。

  公开号：

  US20070276140A1

文献信息

• Regioselective Copper-Catalyzed Amination of Chlorobenzoic Acids:  Synthesis and Solid-State Structures of <i>N</i>-Aryl Anthranilic Acid Derivatives
  作者：Xuefeng Mei、Adam T. August、Christian Wolf

  DOI：10.1021/jo0518809

  日期：2006.1.1

  amination of 2-chlorobenzoic acids with aniline derivatives has been developed. The method eliminates the need for acid protection and produces a wide range of N-aryl anthranilic acid derivatives in up to 99% yield. The amination was found to proceed with both electron-rich and electron-deficient aryl chlorides and anilines and also utilizes sterically hindered anilines such as 2,6-dimethylaniline and

  开发了一种化学和区域选择性铜催化交叉偶联反应，用于 2-氯苯甲酸与苯胺衍生物的有效胺化。该方法无需酸保护，可生产多种N-芳基邻氨基苯甲酸衍生物，收率高达 99%。发现胺化可以用富电子和缺电子的芳基氯和苯胺进行，并且还利用空间位阻苯胺，例如2,6-二甲基苯胺和2-叔丁基苯胺。已在固态下研究了适当取代的N-芳基邻氨基苯甲酸的构象异构现象。七种邻氨基苯甲酸衍生物的晶体学分析表明形成了两种不同的超分子结构，表现出反式-反式和前所未有的反式-顺式二聚体结构。
• Chiral 1,8-Diarylnaphthalenes, Methods of Making Them, and Their Use as Sensors
  申请人：Wolf Christian

  公开号：US20070276140A1

  公开（公告）日：2007-11-29

  One aspect of the invention relates to 1,8-diarylnaphthalene compounds. In certain embodiments, a compound of the invention is an N-oxide of a 1,8-diarylnaphthalene. In certain embodiments, the aryl group is an optionally substituted acridyl group. In certain embodiments, a compound of the invention is a single steroisomer. In certain embodiments, a compound of the invention is a single enantiomer. Another aspect of the present invention relates to a method of detecting the presence of an analyte in a sample by monitoring the fluorescence of a compound of the invention in a sample. In certain embodiments, the analyte is a metal ion. Another aspect of the present invention relates to a method of determining the enantiomeric purity of an analyte by monitoring the fluorescence of a compound of the invention in the presence of the analyte. In certain embodiments, the analyte is a compound that is capable of hydrogen bonding.

  该发明的一个方面涉及1,8-二芳基萘化合物。在某些实施例中，该发明的化合物是1,8-二芳基萘的N-氧化物。在某些实施例中，芳基是一个可选择取代的吖啶基。在某些实施例中，该发明的化合物是一个单对映体。在某些实施例中，该发明的化合物是一个单对映异构体。本发明的另一个方面涉及通过监测样品中该发明的化合物的荧光来检测样品中存在的分析物的方法。在某些实施例中，分析物是金属离子。本发明的另一个方面涉及通过在分析物存在的情况下监测该发明的化合物的荧光来确定分析物的对映体纯度的方法。在某些实施例中，分析物是能够进行氢键结合的化合物。
• Chiral 1,8-diarylnaphthalenes, methods of making them, and their use as sensors
  申请人：Georgetown University

  公开号：US07888509B2

  公开（公告）日：2011-02-15

  One aspect of the invention relates to 1,8-diarylnaphthalene compounds. In certain embodiments, a compound of the invention is an N-oxide of a 1,8-diarylnaphthalene. In certain embodiments, the aryl group is an optionally substituted acridyl group. In certain embodiments, a compound of the invention is a single steroisomer. In certain embodiments, a compound of the invention is a single enantiomer. Another aspect of the present invention relates to a method of detecting the presence of an analyte in a sample by monitoring the fluorescence of a compound of the invention in a sample. In certain embodiments, the analyte is a metal ion. Another aspect of the present invention relates to a method of determining the enantiomeric purity of an analyte by monitoring the fluorescence of a compound of the invention in the presence of the analyte. In certain embodiments, the analyte is a compound that is capable of hydrogen bonding.

  本发明的一个方面涉及1,8-二芳基萘化合物。在某些实施方式中，本发明的化合物是1,8-二芳基萘的N-氧化物。在某些实施方式中，芳基基团是可选取代的吖啶基团。在某些实施方式中，本发明的化合物是单一立体异构体。在某些实施方式中，本发明的化合物是单一对映体。本发明的另一个方面涉及通过监测样品中本发明化合物的荧光来检测样品中分析物的存在的方法。在某些实施方式中，分析物是金属离子。本发明的另一个方面涉及通过在分析物存在的情况下监测本发明化合物的荧光来确定分析物的对映体纯度的方法。在某些实施方式中，分析物是能够进行氢键作用的化合物。
• ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME
  申请人：Samsung Electronics Co., Ltd.

  公开号：EP3689888A1

  公开（公告）日：2020-08-05

  Provided are the organometallic compound represented by Formula 1 and an organic light-emitting device including the same: M, X1 to X4, X11, ring CY2 to ring CY4, T1, T2, R1 to R4, and a1 to a4 in Formula 1 are the same as described in the present specification.

  本文提供了由式 1 表示的有机金属化合物和包括该化合物的有机发光器件： 式 1 中的 M、X1 至 X4、X11、环 CY2 至环 CY4、T1、T2、R1 至 R4 和 a1 至 a4 与本说明书所述相同。
• ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE
  申请人：Samsung Electronics Co., Ltd.

  公开号：EP3715355A1

  公开（公告）日：2020-09-30

  Disclosed are an organometallic compound represented by Formula 1, an organic light-emitting device including the same, and an electronic device including the organic light-emitting device: The detailed description of Formula 1 is the same as described in the present specification.

  本发明公开了一种由式 1 表示的有机金属化合物、一种包括该有机金属化合物的有机发光器件以及一种包括该有机发光器件的电子设备： 式 1 的详细说明与本说明书所述相同。