2-乙氧基-3-(三氟甲基)-吡啶 | 849934-82-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-乙氧基-3-(三氟甲基)-吡啶
• 英文名称: 2-ethoxy-3-(trifluoromethyl)pyridine
• 英文别名: 2-ethoxy-3-trifluoromethyl-pyridine
• CAS: 849934-82-3
• 化学式: C₈H₈F₃NO
• mdl: MFCD11044343
• 分子量: 191.153
• InChiKey: KBQUVTHKBOALAV-UHFFFAOYSA-N

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：
  0.375
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2933399090
• 储存条件：
  保存在2至8℃的环境中，需密封并保持干燥。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Ethoxy-3-(trifluoromethyl)pyridine
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-Ethoxy-3-(trifluoromethyl)pyridine
CAS number: 849934-82-3

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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: C8H8F3NO
Molecular weight: 191.2

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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, hydrogen fluoride.

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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-乙氧基-3-(三氟甲基)-吡啶 在 四(三苯基膦)钯 、 1,3-二溴-5,5-二甲基海因 、 sodium carbonate 、 三氟乙酸 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 16.17h， 生成 {3-[6-(6-ethoxy-5-trifluoromethyl-pyridin-3-yl)-quinazolin-4-yl]-phenyl}-(4-methyl-piperazin-1-yl)-methanone
  参考文献：
  名称：

  Use of Inhibitors of the Activity or Function of PI3K

  摘要：

  该发明涉及PI3K抑制剂的新用途，其中所述抑制剂对PI3K同工酶δ具有抑制作用，用于治疗患有疟疾、利什曼病、锥虫病、弓形虫病和/或神经囊虫病等疾病或紊乱的受试者的免疫病理学，通过对感染受试者的TLR9的功能抑制。

  公开号：

  US20150342951A1
• 作为产物：
  描述：

  2-氯-3-三氟甲基吡啶 以 乙醇 、 sodium ethanolate 为溶剂， 以73%的产率得到2-乙氧基-3-(三氟甲基)-吡啶
  参考文献：
  名称：

  Modulators of LXR

  摘要：

  本发明的化合物，例如式（I）的化合物：其中n，m，A，B，R1，R2，R3，R4和R5如本文所定义，可用作肝X受体活性的调节剂。还公开了含有这些化合物的药物组合物和使用这些化合物的方法。

  公开号：

  US20050080111A1

文献信息

• [EN] DOPAMINE D2 RECEPTOR LIGANDS<br/>[FR] LIGANDS DES RÉCEPTEURS DOPAMINERGIQUES D2
  申请人：BROAD INST INC

  公开号：WO2016100940A1

  公开（公告）日：2016-06-23

  The present invention relates to novel dopamine D2 receptor ligands. The invention further relates to functionally-biased dopamine D2 receptor ligands and the use of these compounds for treating or preventing central nervous system and systemic disorders associated with dysregulation of dopaminergic activity. The present invention relates to novel compounds that modulate dopamine D2 receptors. In particular, compounds of the present invention show functional selectivity at the dopamine D2 receptors and exhibit selectivity downstream of the D2 receptors, on the 0- arrestin pathway and/or on the cAMP pathway.

  本发明涉及新型多巴胺D2受体配体。该发明进一步涉及功能偏向的多巴胺D2受体配体以及利用这些化合物治疗或预防与多巴胺活性失调相关的中枢神经系统和全身性疾病。本发明涉及调节多巴胺D2受体的新型化合物。具体而言，本发明的化合物在多巴胺D2受体上显示功能选择性，并在D2受体下游、0-阿雷斯汀途径和/或cAMP途径上表现出选择性。
• Method for preparing alkyl ethers and aryl ethers
  申请人：MEUDT Andreas

  公开号：US20080071084A1

  公开（公告）日：2008-03-20

  Method for preparing compounds of the formula (III) by reacting compounds of the formula (II) with a) an alcoholate or b) an alcohol R1-OH and a base in the presence of a Cu-containing catalyst and of a ligand, where X 1-5 are independently of one another either carbon or nitrogen, or in each case two adjacent X 1 R 1 , with i=1−6, linked by a formal double bond together O, S, NRH or Nrl . The ligands preferably employed are acyclic and/or cyclic oligo- and polyglycols, oligo- and polyamides or oligo- and polyamine glycols of the general formula (IV) k is an integer >0 and n is an integer >1; X and Y are independently of one another O, NH or NR 1 .

  通过将公式（II）的化合物与a）醇酸盐或b）醇R1-OH和碱在存在铜催化剂和配体的情况下反应来制备公式（III）化合物的方法，其中X1-5分别独立地是碳或氮，或每种情况下两个相邻的X1R1，其中i=1-6，通过形式双键连接在一起的O、S、NRH或Nrl。最好使用的配体是一般公式（IV）的无环和/或环状寡聚和聚甘醇、寡聚和聚酰胺或寡聚和聚胺甘醇，其中k是大于0的整数，n是大于1的整数；X和Y分别独立地是O、NH或NR1。
• Modulators Of Nuclear Receptors
  申请人：Bayne Christopher D.

  公开号：US20080119488A1

  公开（公告）日：2008-05-22

  Compounds of the invention, such as compounds of formula (I), where n, m, A, R1, R2, R3, R4 and R5 are defined herein, are useful as modulators of the activity of liver X receptors. Pharmaceutical compositions containing the compounds and methods of using the compounds are also disclosed.

  本发明的化合物，例如式（I）中的化合物，其中n，m，A，R1，R2，R3，R4和R5在此定义，可用作肝X受体活性调节剂。还公开了含有该化合物的制药组合物和使用该化合物的方法。
• Verfahren zur Herstellung von Alkyl- und Arylethern
  申请人：Archimica GmbH

  公开号：EP1873136A1

  公开（公告）日：2008-01-02

  Die Erfindung betrifft ein Verfahren zur Herstellung von organischen Verbindungen durch Erzeugung von Alkoholatverbindungen aus Alkoholen und Base oder Einsatz käuflicher Alkoholate und deren Umsetzung mit geeigneten Arylhalogeniden in der Gegenwart von Kupfersalzen und geeigneten Liganden (Gleichung 1).

  本发明涉及一种制备有机化合物的工艺，该工艺由醇和碱或使用市售醇酸酯生产醇酸酯化合物，并在铜盐和合适配体的存在下使其与合适的芳基卤化物反应（式 1）。
• MODULATORS OF NUCLEAR RECEPTORS
  申请人：Exelixis, Inc.

  公开号：EP1773337A2

  公开（公告）日：2007-04-18