3-氨基-2-氯-6-三氟甲基吡啶 | 117519-09-2

• 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-氨基-2-氯-6-三氟甲基吡啶
• 中文别名: 2-氯-6-三氟甲基-3-氨基吡啶；2-氯-3-氨基-6-三氟甲基吡啶；6-三氟甲基-3-氨基-2-氯吡啶
• 英文名称: 2-chloro-6-(trifluoromethyl)pyridin-3-amine
• 英文别名: 3-amino-2-chloro-6-(trifluoromethyl)pyridine；2-chloro-6-trifluoromethylpyridin-3-ylamine
• CAS: 117519-09-2
• 化学式: C₆H₄ClF₃N₂
• mdl: MFCD01862661
• 分子量: 196.559
• InChiKey: QAZZMFLLNSJCLW-UHFFFAOYSA-N

物化性质

• 熔点：
  92-94°C
• 沸点：
  231.8±40.0 °C(Predicted)
• 密度：
  1.507±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 安全说明：
  S26
• 危险类别码：
  R36/37/38
• 海关编码：
  2933399090
• 危险品标志：
  Harmful
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302+H312+H332,H315,H319,H335
• 储存条件：
  存放于惰性气体中，避免与空气接触。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Amino-2-chloro-6-(trifluoromethyl)pyridine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H300: Fatal if swallowed
H319: Causes serious eye irritation
P264: Wash thoroughly after handling
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: 3-Amino-2-chloro-6-(trifluoromethyl)pyridine
CAS number: 117519-09-2

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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, 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
No data
Boiling point:
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H4ClF3N2
Molecular weight: 196.6

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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
UN Number: UN2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (3-Amino-2-chloro-6-(trifluoromethyl)pyridine)

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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

制备方法与用途

用途：用于制备药物非洛地平的中间体，同时也作为染料中间体。

反应信息

• 作为反应物：
  描述：

  3-氨基-2-氯-6-三氟甲基吡啶 在 盐酸 、 sodium nitrite 、 copper(l) chloride 、 ammonium hydroxide 作用下， 以 水 为溶剂， 反应 1.5h， 生成 2,3-二氯-6-(三氟甲基)吡啶
  参考文献：
  名称：

  [EN] HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE
  [FR] MODULATEURS HÉTÉROCYCLIQUES DE GPR119 POUR LE TRAITEMENT D'UNE MALADIE

  摘要：

  公开号：

  WO2009117421A3
• 作为产物：
  描述：

  5-氨基-2-三氟甲基吡啶 在 N-氯代丁二酰亚胺 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成 3-氨基-2-氯-6-三氟甲基吡啶
  参考文献：
  名称：

  [EN] COMPOUNDS AND COMPOSITIONS AS TLR-7 ACTIVITY MODULATORS
  [FR] COMPOSÉS ET COMPOSITIONS PERMETTANT DE MODULER L'ACTIVITÉ DES TLR-7

  摘要：

  这项发明提供了包含这些化合物的免疫原组合物和药物组合物，以及使用这些化合物治疗或预防与Toll样受体7相关的疾病或紊乱的方法。在一个方面，这些化合物可用作增强疫苗效果的佐剂。

  公开号：

  WO2011057148A1

文献信息

• [EN] BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS<br/>[FR] DERIVES DE BENZIMIDAZOLES ET UTILISATION DE CEUX-CI EN TANT QUE LIGANDS DU RECEPTEUR VANILLOIDE
  申请人：AMGEN INC

  公开号：WO2004035549A1

  公开（公告）日：2004-04-29

  Compounds of formula (I) are useful in the treatment of vanilloid-receptor-meditated diseases, such as inflammatory or neuropathic pain and diseases involving sensory nerve function such as asthma, rheumatoid arthritis, osteoarthritis, inflammatory bowel disorders, urinary incontinence, migraine and psoriasis.

  式（I）的化合物在治疗辣椒素受体介导的疾病方面很有用，如炎症性或神经病痛以及涉及感觉神经功能的疾病，如哮喘、类风湿性关节炎、骨关节炎、炎症性肠道疾病、尿失禁、偏头痛和牛皮癣。
• Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents
  申请人：PFIZER INC.

  公开号：US20190233440A1

  公开（公告）日：2019-08-01

  Compounds of the general formula: processes for the preparation of these compounds, compositions containing these compounds, and the uses of these compounds.

  具有通用公式： 这些化合物的制备方法，包含这些化合物的组合物，以及这些化合物的用途。
• [EN] MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF<br/>[FR] MODULATEURS DE HSD17B13 ET LEURS PROCÉDÉS D'UTILISATION
  申请人：REGENERON PHARMA

  公开号：WO2021003295A1

  公开（公告）日：2021-01-07

  The disclosure relates to compounds and pharmaceutical compositions capable of modulating the hydroxysteroid 17-beta dehydrogenase (HSD17B) family member proteins including inhibiting the HSD17B member proteins, e.g. HSD17B13. The disclosure further relates to methods of treating liver diseases, disorders, or conditions with the compounds and pharmaceutical compositions disclosed herein, in which the HSD17B family member protein plays a role.

  本公开涉及能够调节羟基类固醇17-β脱氢酶（HSD17B）家族成员蛋白的化合物和药物组合物，包括抑制HSD17B家族成员蛋白，例如HSD17B13。本公开还涉及使用此处披露的化合物和药物组合物治疗肝脏疾病、障碍或状况的方法，其中HSD17B家族成员蛋白发挥作用。
• TRICYCLIC CRBN LIGANDS AND USES THEREOF
  申请人：Kymera Therapeutics, Inc.

  公开号：US20200010468A1

  公开（公告）日：2020-01-09

  The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of CRBN, and the treatment of CRBN-mediated disorders.

  本发明提供了化合物、其组合物以及使用这些化合物抑制CRBN和治疗CRBN介导的疾病的方法。
• Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase
  申请人：Forum Pharmaceuticals, Inc.

  公开号：US20170000749A1

  公开（公告）日：2017-01-05

  This disclosure relates to compounds for the inhibition of histone deacetylase and treatment of a cognitive disorder or deficit. More particularly, the disclosure provides for compounds of formula (I) wherein Q, J, L and Z are as defined in the specification.

  这份披露涉及用于抑制组蛋白去乙酰化酶和治疗认知障碍或缺陷的化合物。更具体地，该披露提供了公式（I）的化合物 其中 Q、J、L和Z如规范中所定义。