5-(三氟甲基)-2-吡啶基肼 | 89570-85-4

• 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: 5-(三氟甲基)-2-吡啶基肼
• 中文别名: 2-肼基-5-三氟甲基吡啶；5-(三氟甲基)吡啶-2-肼；2-肼基-5-三氟甲基砒啶
• 英文名称: 2-hydrazinyl-5-(trifluoromethyl)pyridine
• 英文别名: 2-hydrazino-5-(trifluoromethyl)pyridine；[5-(trifluoromethyl)-2-pyridyl]hydrazine；2-hydrazineyl-5-(trifluoromethyl)pyridine；5-trifluoromethyl-pyridin-2-ylhydrazine；[5-(trifluoromethyl)pyridin-2-yl]hydrazine
• CAS: 89570-85-4
• 化学式: C₆H₆F₃N₃
• mdl: MFCD00236724
• 分子量: 177.129
• InChiKey: PDRJYGJBOYHPJC-UHFFFAOYSA-N

物化性质

• 沸点：
  183℃
• 密度：
  1.46
• 闪点：
  65℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  50.9
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险等级：
  IRRITANT
• 安全说明：
  S26,S36/37/39
• 海关编码：
  2933990090
• 危险品标志：
  Xi
• 危险类别码：
  R20/21/22

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
2-Hydrazinyl-5-trifluoromethylpyridine
Product Name:
Synonyms: 2-Hydrazinyl-5-(trifluoromethyl)pyridine

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301: Toxic if swallowed
H319: Causes serious eye irritation
P301+P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
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: 2-Hydrazinyl-5-trifluoromethylpyridine
CAS number: 89570-85-4

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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
This product should be handled only by, or under the close supervision of, those properly qualified
Handling:
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
Appearance: Not specified
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H6F3N3
Molecular weight: 177.1

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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
UN Number: UN2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (2-Hydrazinyl-5-trifluoromethylpyridine)

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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-(三氟甲基)-2-吡啶基肼 生成 6-(trifluoromethyl)tetrazolo[1,5-a]pyridine
  参考文献：
  名称：

  Trifluoromethyl-substituted dehydrodiazepines and cyanopyrroles from azido-/tetrazolo-pyridines

  摘要：

  经鉴定，1,2-二氢-1,3-二氮杂卓 4D、5D、4,6D 和 5,6D 是叠氮/四唑吡啶光解和热解的独特产物；最终的热解产物是三氟甲基吡咯碳腈（7-9、11-13 和 16-18）。

  DOI：

  10.1039/c39920001062
• 作为产物：
  描述：

  2-溴-5-(三氟甲基)吡啶 在 一水合肼 作用下， 以 乙醇 、 水 为溶剂， 反应 24.0h， 生成 5-(三氟甲基)-2-吡啶基肼
  参考文献：
  名称：

  1,2,3,4-四唑的双重反应：锰催化的点击反应和脱氮环化反应。

  摘要：

  据报道，使用基于锰卟啉的催化系统的一般催化方法可实现两种不同的反应（点击反应和脱氮环化反应），并提供两种不同类型的氮杂环，即1,5-二取代的1,2,3-三唑（具有吡啶基）和1,2,4-三唑并吡啶。机理研究表明，尽管点击反应可能是通过离子机理进行的，这与传统的点击反应不同，但脱氮环化反应可能是通过亲电子的茂金属中间体而不是金属金属中间体进行的。总体而言，此方法非常高效，与其他方法相比，具有许多优点。例如，2副产品产生气体。

  DOI：

  10.1002/anie.202009078

文献信息

• TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS
  申请人：HEINELT Uwe

  公开号：US20110034452A1

  公开（公告）日：2011-02-10

  The invention relates to novel compounds of formula I where X, A − , Q1, Q2 Q3, R2, R3, R4, R5, R6, R7, R8 and R9 are each as defined below. The compounds of formula I have antithrombotic activity and inhibit especially protease-activated receptor 1 (PAR1). The invention further relates to a process for preparing the compound of formula I and to the use thereof as a medicament.

  这项发明涉及公式I的新化合物， 其中X，A − ，Q1，Q2，Q3，R2，R3，R4，R5，R6，R7，R8和R9分别如下定义。公式I的化合物具有抗血栓活性，特别是抑制蛋白酶活化受体1（PAR1）。该发明还涉及制备公式I化合物的方法以及将其用作药物的用途。
• [EN] COMPOUNDS USEFUL AS KINASE INHIBITORS<br/>[FR] COMPOSÉS UTILISÉS COMME INHIBITEURS DE KINASE
  申请人：REDX PHARMA PLC

  公开号：WO2017103611A1

  公开（公告）日：2017-06-22

  This invention relates to novel compounds. The compounds of the invention are tyrosine kinase inhibitors. Specifically, the compounds of the invention are useful as inhibitors of Bruton's tyrosine kinase (BTK).The invention also contemplates the use of the compounds for treating conditions treatable by the inhibition of Bruton's tyrosine kinase, for example cancer, lymphoma, leukemia and immunological diseases.

  这项发明涉及新颖的化合物。该发明的化合物是酪氨酸激酶抑制剂。具体来说，该发明的化合物可用作布鲁顿氏酪氨酸激酶（BTK）的抑制剂。该发明还考虑了利用这些化合物治疗通过抑制布鲁顿氏酪氨酸激酶可治疗的疾病，例如癌症、淋巴瘤、白血病和免疫性疾病。
• Synthesis and Evaluation of Some 2–Aryl–3–[Substituted Pyridin–2–Yl]-Amino/Methylamino Thiazolidin-4-Ones
  作者：Kahkashan Begum

  DOI：10.13005/ojc/340647

  日期：2018.12.28

  antifungal activity. 2-Aryl-3-[substituted pyridin-2-yl]-amino/methylamino thiazolidin4-ones have been synthesized by cyclocondensation of [substituted pyridin-2-yl]-araldehydehydrazone and N-Methyl [substituted pyridin-2-yl]-araldehydehydrazone with mercapto acetic acid in dioxane. The initial reactants required for the synthesis were obtained by refluxing 2-hydrazino substituted pyridine and 2-[N-

  已经合成了一系列结合噻唑烷酮部分的化合物，并筛选了它们的抗真菌活性。通过[取代的吡啶-2-基]-芳醛hydr与N-甲基[取代的吡啶-2-基]-的环缩合反应合成了2-芳基-3- [取代的吡啶-2-基]-氨基/甲基氨基噻唑烷4-。乙醛hydr与巯基乙酸的二恶烷溶液。合成所需的初始反应物是通过将2-肼基取代的吡啶和2- [N-甲基肼基]取代的吡啶与不同的取代醛回流而获得的。然后，筛选这些新合成的化合物对茄红枯萎病菌和尖孢镰刀菌的杀真菌活性。所有这些化合物的结构均通过1 H NMR，IR和质谱分析确定。
• Novel aminotriazolone compounds, method for preparing same and pharmaceutical compositions containing same
  申请人：——

  公开号：US20040029875A1

  公开（公告）日：2004-02-12

  A compound of formula (I): 1 wherein: R 1 and R 2 represent hydrogen or a group as defined in the description, R 3 represents hydrogen or alkyl, alkenyl, alkynyl, aryl, heteroaryl, cycloalkyl or heterocycloalkyl, R 4 represents a group of formula (II): 2 wherein W and B are as defined in the description, R 5 represents hydrogen or alkyl, A represents a group selected from -A 2 -, -A 1 -A 2 -, -A 2 -A 1 - and -A 1 -A 2 -A 1 -, V is as defined in the description.

  一种化合物的化学式（I）： 其中： R1和R2代表氢或描述中定义的基团， R3代表氢或烷基，烯基，炔基，芳基，杂芳基，环烷基或杂环烷基， R4代表化学式（II）的基团： 其中W和B如描述中定义， R5代表氢或烷基， A代表从-A2-，-A1-A2-，-A2-A1-和-A1-A2-A1-中选择的基团， V如描述中定义。
• [EN] INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF<br/>[FR] INHIBITEURS D' ATPASE DE TYPE F1F0, À BASE DE GUANIDINE D'INDAZOLE
  申请人：LYCERA CORP

  公开号：WO2013185045A1

  公开（公告）日：2013-12-12

  The invention provides indazole guanidine compounds that inhibit F1F0-ATPase, and methods of using indazole guanidine compounds as therapeutic agents to treat medical disorders, such as an immune disorder, inflammatory condition, or cancer.

  这项发明提供了抑制F1F0-ATP酶的吲唑胍类化合物，以及将这些吲唑胍类化合物作为治疗剂用于治疗医学疾病的方法，如免疫紊乱、炎症症状或癌症。