4-氨基四氢吡喃盐酸盐 | 33024-60-1

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡喃类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 中文名称: 4-氨基四氢吡喃盐酸盐
• 中文别名: 4-氨基四氢吡喃盐酸；四氢-2H-吡喃-4-胺盐酸盐；四氢吡喃胺盐酸盐
• 英文名称: tetrahydro-2H-pyran-4-ylamine monohydrochloride
• 英文别名: tetrahydro-2H-pyran-4-amine hydrochloride；4-aminotetrahydropyran hydrochloride；tetrahydropyran-4-amine hydrochloride；4-aminotetrahydro-2H-pyran hydrochloride；oxan-4-amine hydrochloride；oxan-4-amine;hydrochloride
• CAS: 33024-60-1
• 化学式: C₅H₁₁NO*ClH
• mdl: MFCD00100881
• 分子量: 137.609
• InChiKey: KWZSCXIYGVEHOB-UHFFFAOYSA-N

物化性质

• 熔点：
  230-250°C

计算性质

• 辛醇/水分配系数(LogP)：
  -0.66
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  36.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  请保持冷敷。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Aminotetrahydropyran, HCl
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: 4-Aminotetrahydropyran, HCl
CAS number: 33024-60-1

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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: C5H12ClNO
Molecular weight: 137.6

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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.

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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

4-氨基四氢吡喃盐酸盐是一种有机杂环化合物，常用作医药中间体。

反应信息

• 作为反应物：
  描述：

  4-氨基四氢吡喃盐酸盐 在 双氧水 、 palladium diacetate 、 potassium carbonate 、 N,N-二异丙基乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 乙醇 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 3.0h， 生成 吉列替尼
  参考文献：
  名称：

  一种3，5-二取代-吡嗪-2-甲酰胺化合物的合 成方法

  摘要：

  本发明公开了一种3,5‑二取代‑吡嗪‑2‑甲酰胺化合物的合成方法，具体的说，是一种对参与癌细胞生长的FLT3‑Axl的受体酪氨酸激酶具有优异抑制活性的3,5‑二取代‑吡嗪‑2‑甲酰胺化合物的合成方法，其特征是包含以下步骤：将化合物5进行水解反应，即可；本发明方法反应条件温和，操作简单，后处理简便，反应收率大幅度提高，是一条全新的可工业化的合成路线。

  公开号：

  CN106083821B
• 作为产物：
  描述：

  四氢吡喃酮 在 palladium 10% on activated carbon 甲酸铵 作用下， 以 甲醇 、 水 为溶剂， 生成 4-氨基四氢吡喃盐酸盐
  参考文献：
  名称：

  EP1535922

  摘要：

  公开号：
• 作为试剂：
  描述：

  2,3-[³H]tetrahydro-2H-pyran-4-amine hydrochloride 、 2-Bromo-3-[(3-chloro-4-methoxyphenyl)methyl]-5-ethyl-7,8-dihydroimidazo[2,1-b]purin-4-one 在 4-氨基四氢吡喃盐酸盐 、 N,N-二异丙基乙胺 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 18.0h， 生成 3-(3-chloro-4-methoxybenzyl)-2-((2,3-[³H]tetrahydro-2H-pyran-4-yl)amino)-5-ethyl-7,8-dihydro-3H-imidazo[2,1-b]purin-4(5H)-one
  参考文献：
  名称：

  Syntheses of³H-labeled,¹⁴C-labeled, and²H₄-labeled SCH 444877, phosphodiesterase type 5 inhibitors

  摘要：

  本文介绍了[3H]SCH 444877、[2H4]SCH 444877 和[14C]SCH 444877 的合成。[3H]SCH 444877 由氚气分三步制备而成。以[2H4]乙醇胺为原料，分四个步骤合成了[2H4]SCH 444877，总收率为 40%。[14C]SCH44877由钡[14C]氰酰胺经10个步骤制备而成，总产率为8.1%。

  DOI：

  10.1002/jlcr.3080

文献信息

• SUBSTITUTED PYRROLOPYRIMIDINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH
  申请人：Signal Pharmaceutical LLC

  公开号：US20140200206A1

  公开（公告）日：2014-07-17

  Provided herein are Pyrrolopyrimidine Compounds having the following structure: wherein R 1 , R 2 , R 3 , and L are as defined herein, compositions comprising an effective amount of a Pyrrolopyrimidine Compound, and methods for treating or preventing breast cancer, more particularly triple negative breast cancer, comprising administering an effective amount of such Pyrrolopyrimidine Compounds to a subject in need thereof.

  本文提供具有以下结构的吡咯吡嘧啶化合物： 其中R1、R2、R3和L如本文所定义，包含有效量吡咯吡嘧啶化合物的组合物，以及治疗或预防乳腺癌，更具体地是三阴性乳腺癌的方法，包括向需要的受试者施用有效量的这种吡咯吡嘧啶化合物。
• [EN] BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLE COMME INHIBITEURS DES BROMODOMAINES
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2016146738A1

  公开（公告）日：2016-09-22

  Compounds of formula (I) and salts thereof: wherein R1, R2, R3, R4 are defined herein. Compounds of formula (I) and salts thereof have been found to inhibit the binding of the BET family of bromodomain proteins to, for example, acetylated lysine residues and thus may have use in therapy, for example in the treatment of autoimmune and inflammatory diseases, such as rheumatoid arthritis; and cancers.

  式（I）的化合物及其盐：其中R1、R2、R3、R4在此处定义。已发现式（I）的化合物及其盐能够抑制BET家族的溴结构域蛋白与例如乙酰化赖氨酸残基的结合，因此可能在治疗中发挥作用，例如在治疗自身免疫和炎症性疾病（如类风湿性关节炎）和癌症方面。
• METALLO-BETA-LACTAMASE INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20160333021A1

  公开（公告）日：2016-11-17

  The present invention relates to compounds of formula (I) that are metallo-β-lactamase inhibitors, the synthesis of such compounds, and the use of such compounds for use with β-lactam antibiotics for overcoming resistance.

  本发明涉及式(I)的化合物，这些化合物是金属β-内酰胺酶抑制剂，以及这些化合物的合成和与β-内酰胺类抗生素一起用于克服耐药性的用途。
• [EN] COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS<br/>[FR] COMPOSÉS UTILES POUR LE TRAITEMENT DE TROUBLES NEURODÉGÉNÉRATIFS
  申请人：SATORI PHARMACEUTICALS INC

  公开号：WO2011109657A1

  公开（公告）日：2011-09-09

  As described herein, the present invention provides compounds useful for treating or lessening the severity of a neurodegenerative disorder. The present invention also provides methods of treating or lessening the severity of such disorders wherein said method comprises administering to a patient a compound of the present invention, or composition thereof. Said method is useful for treating or lessening the severity of, for example, Alzheimer's disease.

  如本文所述，本发明提供了用于治疗或减轻神经退行性疾病严重程度的化合物。本发明还提供了治疗或减轻此类疾病严重程度的方法，其中所述方法包括向患者施用本发明的化合物或其组合物。该方法适用于治疗或减轻例如阿尔茨海默病等疾病的严重程度。
• PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES
  申请人：Gilead Sciences, Inc.

  公开号：US20180230157A1

  公开（公告）日：2018-08-16

  Provided is a compound of Formula (I) wherein the variable groups are defined herein.

  提供的是化合物的化学式（I），其中变量基团在此处被定义。