4-溴-2,5-二甲基苯胺 | 30273-40-6

• 物质功能分类: 有机原料 - 氨基化合物
• 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-溴-2,5-二甲基苯胺
• 中文别名: (4-溴-2,5-二甲基苯基)胺；2,5-二甲基-4-溴苯胺
• 英文名称: 4-bromo-2,5-dimethylaniline
• 英文别名: 4-bromo-2,5-dimethylbenzenamine；4-bromo-2,5-dimethyl-aniline；4-Brom-2,5-dimethyl-anilin；5-Brom-2-amino-p-xylol；4-Brom-2,5-dimethylanilin
• CAS: 30273-40-6
• 化学式: C₈H₁₀BrN
• mdl: MFCD07780642
• 分子量: 200.078
• InChiKey: CXPJJDQQLXEYPM-UHFFFAOYSA-N

物化性质

• 熔点：
  96 °C
• 沸点：
  258.9±35.0 °C(Predicted)
• 密度：
  1.424±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2921430090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromo-2,5-dimethylaniline
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: 4-Bromo-2,5-dimethylaniline
CAS number: 30273-40-6

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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: C8H10BrN
Molecular weight: 200.1

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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, hydrogen bromide.

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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-溴-2,5-二甲基苯胺 生成 N-(4-溴-2,5-二甲基苯基)乙酰胺
  参考文献：
  名称：

  Blanksma, Chemisches Zentralblatt, 1913, vol. 84, # I, p. 1108

  摘要：

  DOI：
• 作为产物：
  描述：

  2,5-二甲基乙酰苯胺 在 氢溴酸 、 溴 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 6.0h， 生成 4-溴-2,5-二甲基苯胺
  参考文献：
  名称：

  对称二硝基和二氨基取代的 Tröger 碱类似物的合成

  摘要：

  本报告描述了对称二氨基取代的 Troger 碱类似物的新合成方法，允许合成没有额外取代基的 1,7- 和 4,10-二氨基衍生物以及在 1 中带有甲基的 3,9-二氨基衍生物。 -、4、7 和 10 位。该合成使用二卤取代或四卤取代的 Troger 碱的区域选择性硝化，然后氢化硝基官能团并去除卤素原子，或者通过化学选择性还原硝基以获得二卤代二氨基取代的 Troger 碱类似物。通过这种方法无法获得的 2,8-二氨基衍生物可以通过 2,8-二溴取代的 Troger 碱的 Buchwald-Hartwig 胺化来制备。

  DOI：

  10.1002/ejoc.201201188

文献信息

• [EN] QUINAZOLINE DERIVATIVES USEFUL AS SELECTIVE HDAC6 INHIBITORS<br/>[FR] DÉRIVÉS DE QUINAZOLINE UTILES EN TANT QU'INHIBITEURS SÉLECTIFS DE HDAC6
  申请人：ANNJI PHARM CO LTD

  公开号：WO2021252475A1

  公开（公告）日：2021-12-16

  Provided herein is a compound of Formula (I): or a pharmaceutically acceptable salt thereof, wherein the variables are defined herein. Also provided herein are pharmaceutical compositions comprising a compound of Formula (I) and methods of using the compounds, e.g., in the treatment of neuropathy-related disorders and fibrotic diseases.

  提供了一种公式(I)的化合物：或其药用可接受的盐，其中变量如本文所述定义。此外，还提供了包含公式(I)化合物的药物组合物以及使用这些化合物的方法，例如，用于治疗神经病相关疾病和纤维化疾病。
• Halide ion trapping of nitrenium ions formed in the Bamberger rearrangement of <i>N</i>-arylhydroxylamines. Lifetime of the parent phenylnitrenium ion in water
  作者：James C. Fishbein、Robert A. McClelland

  DOI：10.1139/v96-147

  日期：1996.7.1

  The acid reactions of five arylhydroxylamines (Ar = 2,6-Me2C6H3, 2,5-Me2C6H3, 2-MeC6H4, 2-ClC6H4, and C6H5) have been studied at constant ionic strength (NaClO4) in the presence of varying amounts ...

  在恒定离子强度 (NaClO4) 下，在不同数量的 .. 存在下研究了五种芳基羟胺（Ar = 2,6-Me2C6H3、2,5-Me2C6H3、2-M​​eC6H4、2-ClC6H4 和 C6H5）的酸反应。 .
• [EN] OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS<br/>[FR] DÉRIVÉS D'INDAZOLE SUBSTITUÉS PAR OXADIAZOLE DESTINÉS À ÊTRE UTILISÉS COMME AGONISTES DU RÉCEPTEUR DE SPHINGOSINE-1-PHOSPHATE 1 (S1P1)
  申请人：GLAXO GROUP LTD

  公开号：WO2011072488A1

  公开（公告）日：2011-06-23

  Oxadiazole substituted indazole derivatives of formula (I) or pharmaceutical salts thereof having pharmacological activity, processes for their preparation, pharmaceutical compositions containing them and their uses in the treatment of various disorders mediated by S1P1 receptor are disclosed.

  氧代唑取代吲唑衍生物的化学式（I）或其药用盐具有药理活性，公开了它们的制备方法、含有它们的药物组合物以及它们在治疗由S1P1受体介导的各种疾病中的用途。
• OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS
  申请人：Bailey James

  公开号：US20120283297A1

  公开（公告）日：2012-11-08

  Oxadiazole substituted indazole derivatives of formula (I) or pharmaceutical salts thereof having pharmacological activity, processes for their preparation, pharmaceutical compositions containing them and their uses in the treatment of various disorders mediated by S1P1 receptors are disclosed.

  氧代唑取代吲唑衍生物的化学式（I）或其药用盐具有药理活性，公开了它们的制备方法、含有它们的药物组合物以及它们在治疗由S1P1受体介导的各种疾病中的用途。
• [EN] METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS<br/>[FR] PROCÉDÉS DE CULTURE ET/OU D'EXPANSION DE CELLULES SOUCHES ET/OU DE CELLULES PROGÉNITRICES DÉTERMINÉES D'UNE LIGNÉE À L'AIDE DE COMPOSÉS AMIDO
  申请人：IDEAYA BIOSCIENCES INC

  公开号：WO2020018848A1

  公开（公告）日：2020-01-23

  Provided are methods for expanding stem cells and/or lineage committed progenitor cells, such as hematopoietic stems cells and/or lineage committed progenitor cells, at least in part, by using compounds that antagonize AhR. The compounds are represented by formulae (I) (II) (III) (IV), wherein the letters and symbols a, b, c, d, e, f, g, Z, R1b, R2a and R2b have the meanings provided in the specification. Also provided are compositions comprising stem cells and/or lineage committed progenitor cells expanded by methods disclosed herein and methods for the treatment of diseases treatable by same.

  提供了一种扩增干细胞和/或系谱承诺的前体细胞的方法，例如造血干细胞和/或系谱承诺的前体细胞，至少部分地通过使用拮抗AhR的化合物。这些化合物由公式 (I) (II) (III) (IV) 表示，其中字母和符号 a、b、c、d、e、f、g、Z、R1b、R2a 和 R2b 在说明书中有提供的含义。还提供了包含通过本文披露的方法扩增的干细胞和/或系谱承诺的前体细胞的组合物，以及用于治疗可通过相同方法治疗的疾病的方法。