6-(2,2,2-三氟乙氧基)吡啶-3-甲醛 | 159981-19-8

• 物质功能分类: 有机原料 - 醛类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 6-(2,2,2-三氟乙氧基)吡啶-3-甲醛
• 英文名称: 6-(2,2,2-trifluoroethoxy)nicotinaldehyde
• 英文别名: 6-(2,2,2-trifluoroethoxy)pyridine-3-carbaldehyde
• CAS: 159981-19-8
• 化学式: C₈H₆F₃NO₂
• 分子量: 205.136
• InChiKey: XKOBNYABZGUMQN-UHFFFAOYSA-N

物化性质

• 沸点：
  239.8±40.0 °C(Predicted)
• 密度：
  1.356±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 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：
  39.2
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  储存条件为2-8°C，并需保存在惰性气体中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 6-(2,2,2-Trifluoro-ethoxy)-pyridine-3-carbaldehyde
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H317: May cause an allergic skin reaction
H318: Causes serious eye damage
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 6-(2,2,2-Trifluoro-ethoxy)-pyridine-3-carbaldehyde
CAS number: 159981-19-8

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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.
Storage: Store in closed vessels, refrigerated.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C8H6F3NO2
Molecular weight: 205.1

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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 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：

  6-(2,2,2-三氟乙氧基)吡啶-3-甲醛 在 吡啶 、 正丁基锂 、 AD-mix β 、 对甲苯磺酰氯 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 叔丁醇 为溶剂， 反应 62.0h， 生成 2-hydroxy-2-(6-(2,2,2-trifluoroethoxy)pyridin-3-yl)ethyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  [EN] ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS
  [FR] DÉRIVÉS D'ARYLAMIDE EN TANT QU'AGENTS BLOQUANTS DE TTX-S

  摘要：

  本发明涉及具有对电压门控钠通道（如TTX-S通道）具有阻塞活性的芳基酰胺衍生物，用于治疗或预防涉及电压门控钠通道的疾病和疾病。该发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及电压门控钠通道的这类疾病中使用这些化合物和组合物。

  公开号：

  WO2012053186A1
• 作为产物：
  描述：

  N-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide 在 二异丁基氢化铝 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以287 mg的产率得到6-(2,2,2-三氟乙氧基)吡啶-3-甲醛
  参考文献：
  名称：

  NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND

  摘要：

  公开号：

  EP2687507B1

文献信息

• [EN] TRICYCLIC PIPERIDINE COMPOUNDS<br/>[FR] COMPOSÉS PIPÉRIDINIQUES TRICYCLIQUES
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2016177690A1

  公开（公告）日：2016-11-10

  The present invention relates to compounds of the formula (I) wherein R1a, R1b, R2, R3, (R4)n and ring (A) are as described in the description, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), to methods for the preparation of such compounds of formula (I), and especially to their use as TPH modulators.

  本发明涉及式(I)的化合物，其中R1a、R1b、R2、R3、(R4)n和环(A)如描述中所述，其制备方法，其药学上可接受的盐，以及作为药物的用途，含有一个或多个式(I)化合物的药物组合物，制备这种式(I)化合物的方法，特别是作为TPH调节剂的用途。
• [EN] SUBSTITUTED 2-AMINO-PYRAZOLYL-[1,2,4]TRIAZOLO[1,5A] PYRIDINE DERIVATIVES AND USE THEREOF<br/>[FR] DÉRIVÉS DE 2-AMINO-PYRAZOLYL-[1,2,4]TRIAZOLO[1,5 A] PYRIDINE SUBSTITUÉS ET LEUR UTILISATION
  申请人：UNIV JOHNS HOPKINS

  公开号：WO2020215094A1

  公开（公告）日：2020-10-22

  Provided herein are 2-amino-pyrazolyl-[ 1,2,4]triazolo [1,5a]pyridine derivatives. Such compounds are useful, for example, for the treatment and/or prevention of neurodegenerative diseases or disorders such as ophthalmological neurodegenerative disorders. This disclosure also features compositions containing the same as well as methods of using and making the same.

  本文提供了2-氨基吡唑基-[1,2,4]三唑[1,5a]吡啶衍生物。这些化合物可用于治疗和/或预防神经退行性疾病或障碍，如眼科神经退行性疾病。本公开还涉及含有这些化合物的组合物，以及使用和制备这些化合物的方法。
• AZETIDINE COMPOUNDS AS GRP119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS
  申请人：SANOFI

  公开号：US20180237419A1

  公开（公告）日：2018-08-23

  The present disclosure relates to azetidine compounds. The azetidine compounds are GPR119 modulators and useful for the prevention and/or treatment of diabetes, obesity, dyslipidemia and related disorders. The present disclosure furthermore relates to the use of azetidine compounds as active ingredients in pharmaceuticals, and pharmaceutical compositions comprising them.

  本公开涉及氮杂环丙烷化合物。这些氮杂环丙烷化合物是GPR119调节剂，对于预防和/或治疗糖尿病、肥胖、血脂异常及相关疾病具有用处。此外，本公开还涉及将氮杂环丙烷化合物用作药物中的活性成分，以及包含它们的药物组合物。
• ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20180009796A1

  公开（公告）日：2018-01-11

  The compounds of Formula I act as MGAT2 inhibitors and can be useful in preventing, treating or acting as a remedial agent for hyperlipidemia, diabetes mellitus and obesity.

  Formula I的化合物作为MGAT2抑制剂，可用于预防、治疗或作为高脂血症、糖尿病和肥胖的治疗药物。
• 2-OXOIMIDAZOLIDINE-4-CARBOXAMIDES AS NAV1.8 INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20210403457A1

  公开（公告）日：2021-12-30

  Novel compounds of the structural formula (I), and the pharmaceutically acceptable salts thereof, are inhibitors of Na v 1.8 channel activity and may be useful in the treatment, prevention, management, amelioration, control and suppression of diseases mediated by Na v 1.8 channel activity. The compounds of the present invention may be useful in the treatment, prevention or management of pain disorders, cough disorders, acute itch disorders, and chronic itch disorders.

  结构式（I）的新化合物及其药用盐是Nav1.8通道活性的抑制剂，可能在治疗、预防、管理、改善、控制和抑制由Nav1.8通道活性介导的疾病中有用。本发明的化合物可能在治疗、预防或管理疼痛障碍、咳嗽障碍、急性瘙痒障碍和慢性瘙痒障碍中有用。