5-氯-3-氟-2-肼基吡啶 | 248255-70-1

• 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: 5-氯-3-氟-2-肼基吡啶
• 英文名称: 5-chloro-3-fluoro-2-hydrazinylpyridine
• 英文别名: (5-chloro-3-fluoropyridin-2-yl)hydrazine
• CAS: 248255-70-1
• 化学式: C₅H₅ClFN₃
• 分子量: 161.566
• InChiKey: TZBBCECFLONWDG-UHFFFAOYSA-N

物化性质

• 熔点：
  173-174 °C(Solv: ethanol (64-17-5))
• 沸点：
  172.4±50.0 °C(Predicted)
• 密度：
  1.57±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 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：
  50.9
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Chloro-3-fluoro-2-hydrazinylpyridine
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: 5-Chloro-3-fluoro-2-hydrazinylpyridine
CAS number: 248255-70-1

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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: C5H5ClFN3
Molecular weight: 161.6

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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, 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：

  5-氯-3-氟-2-肼基吡啶 在 palladium on activated charcoal potassium fluoride 、 正丁基锂 、 甲酸铵 、 四甲基氯化铵 、 copper(II) sulfate 作用下， 以 四氢呋喃 、 辛醇 、 正己烷 、 二甲基亚砜 为溶剂， 反应 12.0h， 生成 3-氟吡啶
  参考文献：
  名称：

  从聚卤代吡啶中除去氟并将氟引入到聚卤代吡啶中：亲核性戊烯取代反应。

  摘要：

  从六个工业上可获得的氟化吡啶开始，开发了一种方便的途径来获取所有三个四氟吡啶（2-4），所有六个三氟吡啶（5-10）和五个非商业性二氟吡啶（11-14和16）。用于从多氟吡啶中选择性除去氟的方法是通过金属或复合氢化物进行还原，并用肼进行位点选择性置换，然后进行脱氢-脱重氮或脱氢氯化-脱重氮。为了引入额外的氟原子，在进行氯/氟置换过程之前，将合适的前体金属化和氯化。

  DOI：

  10.1002/chem.200400837
• 作为产物：
  描述：

  2,3-二氟-5-氯吡啶 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 20.0h， 以87%的产率得到5-氯-3-氟-2-肼基吡啶
  参考文献：
  名称：

  从聚卤代吡啶中除去氟并将氟引入到聚卤代吡啶中：亲核性戊烯取代反应。

  摘要：

  从六个工业上可获得的氟化吡啶开始，开发了一种方便的途径来获取所有三个四氟吡啶（2-4），所有六个三氟吡啶（5-10）和五个非商业性二氟吡啶（11-14和16）。用于从多氟吡啶中选择性除去氟的方法是通过金属或复合氢化物进行还原，并用肼进行位点选择性置换，然后进行脱氢-脱重氮或脱氢氯化-脱重氮。为了引入额外的氟原子，在进行氯/氟置换过程之前，将合适的前体金属化和氯化。

  DOI：

  10.1002/chem.200400837

文献信息

• IMIDAZOLE AND TRIAZOLE CONTAINING BICYCLIC COMPOUNDS AS JAK INHIBITORS
  申请人：THERAVANCE BIOPHARMA R&D IP, LLC

  公开号：US20200231590A1

  公开（公告）日：2020-07-23

  The invention provides compounds of formula (I): or a pharmaceutically-acceptable salt thereof, wherein the variables are defined in the specification, that are inhibitors of JAK kinases, particularly JAK3. The invention also provides pharmaceutical compositions comprising such compounds, and methods of using such compounds to treat gastrointestinal and other inflammatory diseases.

  这项发明提供了式(I)的化合物： 或其药用可接受的盐，其中变量在规范中定义，这些化合物是JAK激酶的抑制剂，特别是JAK3。该发明还提供了包括这些化合物的药物组合物，以及使用这些化合物治疗胃肠道和其他炎症性疾病的方法。
• [EN] D-AMINO ACID OXIDASE ACTIVITY INHIBITING COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS DE L'ACTIVITÉ DE D-AMINO ACIDE OXYDASE
  申请人：RICHTER GEDEON NYRT

  公开号：WO2019043635A1

  公开（公告）日：2019-03-07

  Compounds of formula (I), wherein R1 through R3 are as defined in the claims, or pharmaceutically acceptable esters, salts, hydrates or solvates thereof, useful as DAAO inhibitors as well as pharmaceutical compositions containing them and their use as modulators of DAAO activity, D-serine levels, D-serine oxidative products and NMDA receptor activity in the nervous system of a mammalian subject are provided.

  式(I)的化合物，其中R1至R3如权利要求中所定义，或其药用可接受的酯、盐、水合物或溶剂化合物，可用作DAAO抑制剂，以及含有它们的药物组合物以及它们作为DAAO活性调节剂、D-丝氨酸水平、D-丝氨酸氧化产物和NMDA受体活性在哺乳动物主体的神经系统中的使用。
• Process for preparing 2-aminopyridine derivatives
  申请人：Park Tae-Ho

  公开号：US20060047124A1

  公开（公告）日：2006-03-02

  A method for preparing 2-aminopyridine derivatives, which comprises substituting of fluorine for hydrazine moiety and reducing with hydrogen using 3-substituted-2,5,6-trifluoropyridine as a starting material, provides 2-aminopyridine derivatives having a purity over 98% under a mild reaction condition.

  一种制备2-氨基吡啶衍生物的方法，包括用氟替代联氮基团并使用3-取代-2,5,6-三氟吡啶作为起始物质进行氢还原，提供了在温和反应条件下纯度超过98%的2-氨基吡啶衍生物。
• N-heteroaryl-substituted pyridine derivatives and their use as herbicides
  申请人：Syngenta Crop Properties, Inc.

  公开号：US06369002B1

  公开（公告）日：2002-04-09

  Compounds of formula 1 wherein R1 is hydrogen, fluorine, chlorine, bromine or methyl; R2 is C1-C4alkyl, C1-C4halogenalkyl, halogen, hydroxy, C1-C4alkoxy, C1-C4halogenalkoxy, nitro, amino or cyano; R3, R15 to R39 and X6 to X19 are as defined in claim 1, and the agrochemically acceptable salts and stereoisomers of these compounds of formula I are suitable for use as herbicides.

  式1的化合物，其中R1为氢，氟，氯，溴或甲基；R2为C1-C4烷基，C1-C4卤代烷基，卤素，羟基，C1-C4烷氧基，C1-C4卤代烷氧基，硝基，氨基或氰基；R3，R15到R39和X6到X19如权利要求1所定义的，以及公认为农药可接受的盐和立体异构体的I式化合物，适用于作为除草剂使用。
• AMIDE DERIVATIVE AND USE THEREOF
  申请人：Ushio Hiroyuki

  公开号：US20130211075A1

  公开（公告）日：2013-08-15

  The present invention relates to a novel amide derivative. More specifically, the present invention provides a medicinal agent useful as a prophylactic or therapeutic agent for diseases, which relies on the production of cytokines from T cells, and which comprises an amide derivative or a pharmacologically acceptable salt thereof or a solvate of the derivative or the pharmacologically acceptable salt as an active ingredient. Provided is an amide derivative represented by general formula (I) [wherein each symbol is as defined in the description] or a pharmacologically acceptable salt thereof, or a solvate of the derivative or the pharmacologically acceptable salt.

  本发明涉及一种新型酰胺衍生物。更具体地说，本发明提供了一种药用剂，可用作依赖于T细胞产生细胞因子的疾病的预防或治疗剂，该药用剂包括酰胺衍生物或其药理学上可接受的盐或该衍生物或药理学上可接受的盐的溶剂的溶剂作为活性成分。提供的是由通式(I)所表示的酰胺衍生物[其中每个符号如描述中所定义]或其药理学上可接受的盐，或该衍生物或药理学上可接受的盐的溶剂。