4-(四氢吡喃-4-基)苯胺 | 62071-40-3

• 物质功能分类: 医药中间体
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(四氢吡喃-4-基)苯胺
• 中文别名: 4-(四氢-2H-吡喃-4-基)苯胺；4-（四氢吡喃-4-基）苯胺
• 英文名称: 4-(tetrahydro-2H-pyran-4-yl)aniline
• 英文别名: 4-(tetrahydro-2H-pyran-4-yl)benzenamine；4-(Oxan-4-yl)aniline
• CAS: 62071-40-3
• 化学式: C₁₁H₁₅NO
• mdl: MFCD11506022
• 分子量: 177.246
• InChiKey: ZPKIQSVHYPMNNO-UHFFFAOYSA-N

物化性质

• 沸点：
  323.1±30.0 °C(Predicted)
• 密度：
  1.080

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2932999099
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(Oxan-4-yl)aniline
Synonyms: 4-(Tetrahydro-2H-pyran-4-yl)aniline

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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: 4-(Oxan-4-yl)aniline
CAS number: 62071-40-3

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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, refrigerated.
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: C11H15NO
Molecular weight: 177.2

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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.

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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

制备方法与用途

用途：4-(四氢吡喃-4-基)苯胺的中文别名是4-(四氢-2H-吡喃-4-基)苯胺，分子式为C₁₁H₁₅NO。该物质可用作医药合成中间体。

危险处理：

• 若吸入4-(四氢吡喃-4-基)苯胺，请将患者移至新鲜空气处。
• 如皮肤接触，请脱去污染衣物，并用肥皂水和清水彻底清洗受影响区域；如有不适，应及时就医。
• 若眼睛接触到该物质，请张开眼睑，用流动清水或生理盐水冲洗，并立即就医。
• 如误食，请即刻漱口，禁止催吐，并应立即寻求医疗援助。

反应信息

• 作为反应物：
  描述：

  4-(四氢吡喃-4-基)苯胺 在 氢溴酸 、 sodium nitrite 、 copper(I) bromide 作用下， 以 水 为溶剂， 反应 2.5h， 以1.11 g的产率得到4-(4-溴苯基)四氢-2H-吡喃
  参考文献：
  名称：

  [EN] SUBSTITUTED PYRIDOPYRAZINES AS SYK INHIBITORS
  [FR] PYRIDOPYRAZINES SUBSTITUÉES UTILISÉES EN TANT QU'INHIBITEURS DE SYK

  摘要：

  本发明涉及式(I)的吡啶吡嗪化合物，以及其药物组合物和使用方法，其中R1、R2、R3、L、m、p和W如规范中所定义。

  公开号：

  WO2014086032A1
• 作为产物：
  描述：

  4-(4-nitrophenyl)tetrahydro-2H-pyran 在 sodium hydroxide 、 stannous chloride 作用下， 以 盐酸 、 二氯甲烷 、 水 为溶剂， 生成 4-(四氢吡喃-4-基)苯胺
  参考文献：
  名称：

  Novel p-(4-tetrahydropyranyl)-phenoxy-compounds

  摘要：

  新型吡喃衍生物的化学式为##STR1##其中R从氢、1至6个碳原子的烷基和碱金属、碱土金属、铝、胺和铵的阳离子中选择，R.sub.1和R.sub.2分别从氢和1至4个碳原子的烷基中选择，X从氢、氯和溴中选择，具有降血脂活性并减少血浆总脂类水平。

  公开号：

  US04078076A1

文献信息

• [EN] FUNCTIONALISED AMINE DERIVATIVES AS IL-17 MODULATORS<br/>[FR] DÉRIVÉS D'AMINE FONCTIONNALISÉS UTILES EN TANT QUE MODULATEURS D'IL-17
  申请人：UCB BIOPHARMA SRL

  公开号：WO2020120141A1

  公开（公告）日：2020-06-18

  A series of functionalised amine derivatives of formula (I) as defined herein, being potent modulators of human IL-17 activity, are accordingly of benefit in the treatment and/or prevention of various human ailments, including inflammatory and autoimmune disorders.

  根据本文所定义的公式（I），一系列功能化胺衍生物作为人类IL-17活性的有效调节剂，因此在治疗和/或预防各种人类疾病，包括炎症性和自身免疫性疾病方面具有益处。
• [EN] IMIDAZOPYRAZINE SYK INHIBITORS<br/>[FR] INHIBITEURS IMIDAZOPYRAZINE DE LA SYK
  申请人：GILEAD CONNECTICUT INC

  公开号：WO2013188856A1

  公开（公告）日：2013-12-19

  Certain imidazopyrazines and pharmaceutical compositions thereof are provided herein. Methods of treating patients suffering from certain diseases and disorders responsive to the inhibition of Syk activity, which comprises administering to such patients an amount of an imidazopyrazine compound effective to reduce signs or symptoms of the disease or disorder are provided.

  本发明提供了某些咪唑并吡唑化合物及其药物组合物。还提供了治疗患有某些对Syk活性抑制有响应的疾病和障碍的患者的方法，该方法包括向这样的患者施用足以减少疾病或障碍的症状或体征的咪唑并吡唑化合物。
• TANK-BINDING KINASE INHIBITOR COMPOUNDS
  申请人：Gilead Sciences, Inc.

  公开号：US20160096827A1

  公开（公告）日：2016-04-07

  Compounds having the following formula (I) and methods of their use and preparation are disclosed:

  具有以下化学式（I）的化合物以及它们的使用和制备方法已被披露：
• [EN] IL-17A MODULATORS<br/>[FR] MODULATEURS DE IL-17A
  申请人：SANOFI SA

  公开号：WO2021239745A1

  公开（公告）日：2021-12-02

  The present invention relates to compounds that are IL-17A modulators. The compounds have the structural Formula I defined herein. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of diseases or disorders associated with modulation of IL-17A activity.

  本发明涉及一种具有IL-17A调节剂作用的化合物。这些化合物具有本文中定义的结构式I。本发明还涉及制备这些化合物的方法，包括含有它们的药物组合物，以及它们在治疗与IL-17A活性调节相关的疾病或疾病中的应用。
• PYRIDINE-3-CARBOXYAMIDE DERIVATIVE
  申请人：Kitamura Takahiro

  公开号：US20110237590A1

  公开（公告）日：2011-09-29

  To provide a novel JAK3 inhibitor that is useful as a preventive and/or therapeutic agent for rejection and graft versus host disease (GvHD) in organ transplantation, rheumatoid arthritis, multiple sclerosis, systemic lupus erythematosus, Sjögren syndrome, Behcet's disease, type I diabetes mellitus, autoimmune thyroiditis, idiopathic thrombocytopenic purpura, ulcerative colitis, Crohn's disease, asthma, allergic rhinitis, atopic dermatitis, contact dermatitis, urticaria, eczema, psoriasis, allergic conjunctivitis, uveitis, cancer, leukemia and the like. The pyridine-3-carboxyamide derivative represented by the general formula (1): or its salt or a solvate thereof.

  提供一种新型JAK3抑制剂，可用作器官移植中的预防和/或治疗剂，以及风湿性关节炎、多发性硬化、系统性红斑狼疮、干燥综合征、贝赫切特病、I型糖尿病、自身免疫性甲状腺炎、特发性血小板减少性紫癜、溃疡性结肠炎、克罗恩病、哮喘、过敏性鼻炎、特应性皮炎、接触性皮炎、荨麻疹、湿疹、牛皮癣、过敏性结膜炎、葡萄膜炎、白血病等疾病的预防和治疗。通式（1）所代表的吡啶-3-羧酰胺衍生物： 或其盐或溶剂化合物。