2-(4-氯苯氧基)乙胺 | 28769-06-4

• 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 - 苯酚醚
• 中文名称: 2-(4-氯苯氧基)乙胺
• 英文名称: 2-(4-chlorophenoxy)ethan-1-amine
• 英文别名: 2-(4-chlorophenoxy)ethanamine；2-(4-Chlorophenoxy)ethylamine
• CAS: 28769-06-4
• 化学式: C₈H₁₀ClNO
• mdl: MFCD00052977
• 分子量: 171.626
• InChiKey: KSHXAAXEJWSEND-UHFFFAOYSA-N

物化性质

• 沸点：
  152-156 °C(Press: 15 Torr)
• 密度：
  1.178±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2922299090
• 储存条件：
  室温且干燥环境下使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(4-Chlorophenoxy)ethylamine
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: 2-(4-Chlorophenoxy)ethylamine
CAS number: 28769-06-4

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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: C8H10ClNO
Molecular weight: 171.6

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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 chloride.

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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：

  2-(4-氯苯氧基)乙胺 在 potassium permanganate 作用下， 以 溶剂黄146 为溶剂， 生成 3-[2-(4-chloro-phenoxy)-ethyl]-2-(4-chloro-phenyl)-1,1-dioxo-1λ⁶-thiazolidin-4-one
  参考文献：
  名称：

  Patel,P.B.; Trivedi,J.J., Journal of the Indian Chemical Society, 1977, vol. 54, p. 765 - 768

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(2-(4-chlorophenoxy)ethyl)isoindoline-1,3-dione 在 甲胺 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 3.0h， 生成 2-(4-氯苯氧基)乙胺
  参考文献：
  名称：

  发现新型pERK1 / 2或β-arrestin偏爱的5-HT1A受体偏向激动剂：多种治疗样与副作用的关系。

  摘要：

  获得了对5-羟色胺5-HT 1A受体具有高亲和力和选择性的新型1-（1-苯甲酰基哌啶丁-4-基）甲胺衍生物，并在四种功能测定中进行了测试：ERK1 / 2磷酸化，腺苷酸环化酶抑制，钙动员和β-抑制蛋白的募集。选择化合物44和56（分别为2-甲基氨基苯氧基乙基和2-（1 H-吲哚-4-基氧基）乙基衍生物）作为具有高度差异性的“信号指纹”的偏向激动剂，这些信号被翻译成不同的体内特征。在体外，44显示出对ERK1 / 2磷酸化的偏向激动作用，而在体内，它在大鼠Porsolt强迫游泳试验中优先发挥了抗抑郁样作用。相反，化合物56表现出一流的特性：它在体外优先有效地激活β-arrestin募集，并在体内有效引起下唇缩回，这是“ 5-羟色胺能综合症”的一个组成部分。两种化合物均显示出良好的可显影性。提出的5-HT 1A受体偏向激动剂，优先针对各种信号传导途径，有可能成为独特的中枢神经系统病理学的候选药

  DOI：

  10.1021/acs.jmedchem.0c00814

文献信息

• SUBSTITUTED TRIAZOLO-PYRIMIDINE COMPOUNDS FOR MODULATING CELL PROLIFERATION, DIFFERENTIATION AND SURVIVAL
  申请人：STATegics, Inc.

  公开号：US20140142122A1

  公开（公告）日：2014-05-22

  Disclosed herein are erythropoietin-mimetic compounds of Formula I, which modulate the survival, function, or differentiation of, for example, kidney cells, neurons, erythroid cells, or other erythropoietin-responsive cells. The present invention also relates to compounds and methods that preferentially modulate cells expressing the tissue-protective erythropoietin receptor. The compounds of the invention are useful in preventing and treating diseases, such as anemia, organ injury, and diseases of the central nervous system, and as an adjunct to cellular treatments, such as stem cell therapies.

  本公开涉及的是式I的类似促红细胞生成素化合物，其调节肾脏细胞、神经元、红细胞或其他促红细胞生成素反应细胞的存活、功能或分化。本发明还涉及优先调节表达组织保护性促红细胞生成素受体的细胞的化合物和方法。本发明的化合物在预防和治疗贫血、器官损伤、中枢神经系统疾病等疾病方面有用，并可作为干细胞治疗等细胞治疗的辅助手段。
• An Old Story in the Parallel Synthesis World: An Approach to Hydantoin Libraries
  作者：Andrey V. Bogolubsky、Yurii S. Moroz、Olena Savych、Sergey Pipko、Angelika Konovets、Maxim O. Platonov、Oleksandr V. Vasylchenko、Vasyl V. Hurmach、Oleksandr O. Grygorenko

  DOI：10.1021/acscombsci.7b00163

  日期：2018.1.8

  An approach to the parallel synthesis of hydantoin libraries by reaction of in situ generated 2,2,2-trifluoroethylcarbamates and α-amino esters was developed. To demonstrate utility of the method, a library of 1158 hydantoins designed according to the lead-likeness criteria (MW 200–350, cLogP 1–3) was prepared. The success rate of the method was analyzed as a function of physicochemical parameters

  开发了一种通过原位生成的2,2,2-三氟乙基氨基甲酸酯与α-氨基酯反应平行合成乙内酰脲文库的方法。为了证明该方法的实用性，准备了根据铅样标准（MW 200–350，cLogP 1-3）设计的1158个乙内酰脲文库。分析了该方法的成功率与产品理化参数的关系，发现该方法可以被认为是用于铅导向合成的工具。通过合理设计，使用开发的方法进行平行合成，计算机模拟和体外筛选相结合的方法，发现了一种含乙内酰脲的超微摩尔主要分子，可作为Aurora激酶A抑制剂。
• PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS
  申请人：Global Blood Therapeutics, Inc.

  公开号：US20150315198A1

  公开（公告）日：2015-11-05

  In one aspect this invention relates generally to compounds of Formula: and sub-formulas thereof, or a tautomer of each thereof, a pharmaceutically acceptable salt of each thereof, or a pharmaceutically acceptable solvate of each of the foregoing, where X 1 , L 1 , L 3 , and R 3 are described herein.

  在一个方面，这项发明通常涉及以下式的化合物： 及其亚式，或每个亚式的重排异构体，每个的药学上可接受的盐，或每个前述的药学上可接受的溶剂，其中X 1 ，L 1 ，L 3 和R 3 如本文所述。
• [EN] MODULATORS OF THE INTEGRATED STRESS PATHWAY<br/>[FR] MODULATEURS DE LA VOIE DE RÉPONSE INTÉGRÉE AU STRESS
  申请人：CALICO LIFE SCIENCES LLC

  公开号：WO2019090074A1

  公开（公告）日：2019-05-09

  Provided herein are compounds of formula (I) and (II), compositions, and methods useful for modulating the integrated stress response (ISR) and for treating related diseases; disorders and conditions.

  本文提供了式(I)和(II)的化合物、组合物以及用于调节综合应激反应（ISR）并治疗相关疾病、疾病和症状的方法。
• PPAR-activating compound and pharmaceutical composition comprising the compound
  申请人：Yamazaki Yukiyoshi

  公开号：US20050101636A1

  公开（公告）日：2005-05-12

  A compound represented by the following formula (1): Or a salt thereof; and therapeutic durgs containing the compound. The compound selectively activates PPARα.

  由以下化学式（1）表示的化合物；或其盐；以及含有该化合物的治疗药物。该化合物选择性激活PPARα。