3,5-二氟吡啶-4-甲酸 | 903522-29-2

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 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: 3,5-二氟吡啶-4-甲酸
• 中文别名: 3,5-二氟-4-吡啶羧酸；3,5-二氟异烟酸
• 英文名称: 3,5-difluoroisonicotinic acid
• 英文别名: 3,5-difluoro-4-pyridinecarboxylic acid；3,5-difluoropyridine-4-carboxylic acid
• CAS: 903522-29-2
• 化学式: C₆H₃F₂NO₂
• mdl: MFCD04972829
• 分子量: 159.092
• InChiKey: DRWDDFVJHGAJTN-UHFFFAOYSA-N

物化性质

• 沸点：
  317℃
• 密度：
  1.535
• 闪点：
  146℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温和惰性气体环境下

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3,5-Difluoroisonicotinic acid
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302: Harmful if swallowed
H315: Causes skin irritation
H318: Causes serious eye damage
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: 3,5-Difluoroisonicotinic acid
CAS number: 903522-29-2

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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.
Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
Eye contact:
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.

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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
No data
Boiling point:
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H3F2NO2
Molecular weight: 159.1

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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：

  3,5-二氟吡啶-4-甲酸 在 N,N-二异丙基乙胺 、 六甲基二硅氮烷 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 54.0h， 生成 N-(2-acetamidophenyl)-3-fluoro-5-[(2-fluoro-4-iodophenyl)amino]isonicotinamide
  参考文献：
  名称：

  [EN] SUBSTITUTED PHENOXYPYRIDINES
  [FR] PHÉNOXYPYRIDINES SUBSTITUÉES

  摘要：

  本发明涉及一般式（I）中R1、R2和R3如声明中定义的取代苯氧吡啶化合物，以制备所述化合物的方法，用于制备药物组合物和组合物，以及用于制造治疗或预防疾病的药物组合物的制备中使用所述化合物，特别是用于治疗或预防增殖过度和/或血管生成障碍的疾病，作为唯一的制剂或与其他活性成分组合使用。

  公开号：

  WO2012055953A1
• 作为产物：
  描述：

  在 三乙基硅烷 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以65 %的产率得到3,5-二氟吡啶-4-甲酸
  参考文献：
  名称：

  一种异烟酸衍生物的制备方法

  摘要：

  本发明提供了一种异烟酸衍生物的制备方法，所述制备方法包括如下步骤：(1)将式I所示化合物在二异丙基氨基锂的存在下，与二碳酸二叔丁酯在溶剂中反应得到式II所示化合物；(2)将式II所示化合物在溶剂中，经过与三氟乙酸、三乙基硅烷的反应后，得到所述式III所示化合物，即异烟酸衍生物；本发明提供的合成异烟酸衍生物的新思路，相比较于传统的直接通入二氧化碳和直接投入干冰的方式，该方法几乎不会有副产物的产生，且该方法操作处理简单，对实验条件要求较低，试剂原料成本较低，绿色环保，符合现代有机化学发展的理念。

  公开号：

  CN117343005A

文献信息

• [EN] N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS<br/>[FR] CARBOXAMIDES N-PYRAZOLYL EN TANT QU'INHIBITEURS DU CANAL CRAC
  申请人：GLAXO GROUP LTD

  公开号：WO2010122089A1

  公开（公告）日：2010-10-28

  The present invention relates to amide compounds, processes for their preparation, pharmaceutical compositions containing these compounds and to their use in the treatment of disorders, conditions or disorders such as allergic disorders, inflammatory disorders and disorders of the immune system.

  本发明涉及酰胺化合物，其制备方法，含有这些化合物的药物组合物，以及它们在治疗过敏性疾病、炎症性疾病和免疫系统疾病等疾病、状况或障碍中的应用。
• JANUS KINASE INHIBITOR COMPOUNDS AND METHODS
  申请人：GOODACRE SIMON CHARLES

  公开号：US20100317643A1

  公开（公告）日：2010-12-16

  The invention provides compounds of Formula I, stereoisomers or pharmaceutically acceptable salts thereof, wherein A, B, D, R 1 , R 2 , R 4 and R 5 are defined herein, a pharmaceutical composition that includes a compound of Formula I and methods of use thereof

  这项发明提供了公式I的化合物，其立体异构体或药学上可接受的盐，其中A、B、D、R1、R2、R4和R5在此处被定义，包括公式I化合物的药物组合物以及其使用方法
• COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM
  申请人：Whitten Jeffrey P.

  公开号：US20110263612A1

  公开（公告）日：2011-10-27

  Described herein are compounds and pharmaceutical compositions containing such compounds, which modulate the activity of store-operated calcium (SOC) channels. Also described herein are methods of using such SOC channel modulators, alone and in combination with other compounds, for treating diseases or conditions that would benefit from inhibition of SOC channel activity.

  本文描述了含有这些化合物的化合物和药物组合物，这些化合物调节储存操作钙（SOC）通道的活性。本文还描述了使用这种SOC通道调节剂的方法，单独或与其他化合物结合，用于治疗需要抑制SOC通道活性的疾病或症状。
• [EN] SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS<br/>[FR] COMPOSÉS SUBSTITUÉS DE PYRIDINE EN TANT QUE MODULATEURS DE CRAC
  申请人：LUPIN LTD

  公开号：WO2013164769A1

  公开（公告）日：2013-11-07

  The present invention relates to compounds described herein Formula (I) and pharmaceutical acceptable salts thereof, which modulate the activity of calcium release- activated calcium (CRAC) channel. The invention also describes the compounds of Formula (I)and pharmaceutical compositions containing such compounds thereof for treating, managing, and/or lessening the severity of diseases, disorders, syndromes or conditions associated with the modulation of calcium release-activated calcium (CRAC) channel.

  本发明涉及式(I)描述的化合物以及其中医药可接受的盐，这些化合物能够调节钙释放激活钙(CRAC)通道的活性。该发明还描述了式(I)的化合物以及包含这些化合物的药物组合物，用于治疗、管理和/或减轻与调节钙释放激活钙(CRAC)通道相关联的疾病、障碍、综合征或状况的严重性。
• [EN] CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS<br/>[FR] CARBOXAMIDES UTILISÉS EN TANT QU'INHIBITEURS DES CANAUX SODIQUES
  申请人：VERTEX PHARMA

  公开号：WO2019014352A1

  公开（公告）日：2019-01-17

  Compounds, and pharmaceutically acceptable salts thereof, useful as inhibitors of sodium channels are provided. Also provided are pharmaceutical compositions comprising the compounds or pharmaceutically acceptable salts and methods of using the compounds, pharmaceutically acceptable salts, and pharmaceutical compositions in the treatment of various disorders, including pain.

  提供了作为钠通道抑制剂的化合物及其药用盐。还提供了包含这些化合物或药用盐的药物组合物，以及使用这些化合物、药用盐和药物组合物治疗各种疾病，包括疼痛的方法。