四氢吡喃-4-基-乙酸乙酯 | 103260-44-2

• 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: 四氢吡喃-4-基-乙酸乙酯
• 中文别名: 2-(四氢-2H-吡喃-4-基)乙酸乙酯；2-(4-四氢吡喃基)乙酸乙酯
• 英文名称: ethyl tetrahydropyran-4-acetate
• 英文别名: ethyl 2-(tetrahydro-2H-pyran-4-yl)acetate；ethyl 2-tetrahydropyran-4-ylacetate；ethyl tetrahydro-2H-pyran-4-ylacetate；Ethyl tetrahydropyran-4-ylacetate；ethyl 2-(oxan-4-yl)acetate
• CAS: 103260-44-2
• 化学式: C₉H₁₆O₃
• 分子量: 172.224
• InChiKey: JLMMMEDWRUVCEW-UHFFFAOYSA-N

物化性质

• 沸点：
  73-75 0,2mm
• 密度：
  1.0268 g/cm3(Temp: 13.4 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26
• 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：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Ethyl tetrahydropyran-4-yl-acetate
Synonyms: Ethyl 2-(tetrahydro-2H-pyran-4-yl)acetate; Ethyl tetrahydropyran-4-acetate

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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: Ethyl tetrahydropyran-4-yl-acetate
CAS number: 103260-44-2

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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.
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: C9H16O3
Molecular weight: 172.2

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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.

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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：

  四氢吡喃-4-基-乙酸乙酯 在 lithium aluminium tetrahydride 、 三乙胺 、 lithium bromide 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙酸乙酯 、 丙酮 为溶剂， 反应 20.0h， 生成 4-溴乙基四氢吡喃
  参考文献：
  名称：

  [EN] ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS D'ARGININE MÉTHYLTRANSFÉRASE ET LEURS UTILISATIONS

  摘要：

  本文描述了式（S-I）的化合物，其药用盐以及药物组合物。本文描述的化合物对抑制精氨酸甲基转移酶活性有用。还描述了利用这些化合物治疗精氨酸甲基转移酶介导的疾病的方法。

  公开号：

  WO2016044626A1
• 作为产物：
  描述：

  四氢吡喃酮 在 palladium on activated charcoal 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 10.0h， 生成 四氢吡喃-4-基-乙酸乙酯
  参考文献：
  名称：

  没有基本侧链的新型高亲和力H3受体激动剂。

  摘要：

  在这项研究中，我们用非碱性醇或烃基团取代了已知的组胺H（3）受体激动剂imbutamine或immepip的基本胺功能。在这项研究中的所有化合物显示出对克隆的人类H（3）受体的中等至高亲和力，而且出乎意料的是，几乎所有化合物都充当有效的激动剂。此外，在酒精系列中，我们始终观察到对人类H（3）受体的选择性高于人类H（4）受体，但与它们的烷基胺同类物相比，该系列中的任何化合物都不具有增加的亲和力和功能活性。在这个新的化合物系列中，VUF5657 5-（1H-咪唑-4-基）-戊-1--1-醇是最有效的组胺H（3）受体激动剂（pK（i）= 8.0和pEC（50）= 8.1）在人类H（3）受体上的选择性是人类H（4）受体的320倍。

  DOI：

  10.1016/j.bmc.2005.09.002

文献信息

• [EN] NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS<br/>[FR] NOUVEAUX DÉRIVÉS DE PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE UTILISÉS EN TANT QU'INHIBITEURS DE P2X3
  申请人：BAYER AG

  公开号：WO2019081343A1

  公开（公告）日：2019-05-02

  The present invention covers substituted Pyrazolo-pyrrolo-pyrimidine-dione (PPPD) compounds of general formula (I): in which R1, R2 and R3 are as defined herein, methods of preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of neurogenic diseases, as a sole agent or in combination with other active ingredients.

  本发明涵盖了一般式(I)的取代吡唑基-吡咯基-嘧啶二酮（PPPD）化合物：其中R1、R2和R3如本文所定义，制备所述化合物的方法，包含所述化合物的药物组合物和配方，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是神经源性疾病，作为唯一活性成分或与其他活性成分组合使用。
• AZAINDOLE GLUCOKINASE ACTIVATORS
  申请人：Berthel Steven Joseph

  公开号：US20110144105A1

  公开（公告）日：2011-06-16

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of metabolic diseases and disorders such as, for example, type II diabetes mellitus.

  提供的化合物为公式(I)： 以及其中可接受的药用盐，其中取代基如说明书所述。这些化合物以及包含它们的药物组合物，可用于治疗代谢性疾病和障碍，例如，2型糖尿病。
• [EN] EP1 RECEPTOR LIGANDS<br/>[FR] LIGANDS DU RÉCEPTEUR EP1
  申请人：ESTEVE LABOR DR

  公开号：WO2013037960A1

  公开（公告）日：2013-03-21

  The present invention belongs to the field of EP1 receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EP1 receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EP1 receptor as well as to pharmaceutical compositions comprising them.

  本发明属于EP1受体配体领域。更具体地，它涉及具有对EP1受体具有很高亲和力和选择性的一般式(I)化合物。该发明还涉及它们的制备方法，以及它们作为治疗和/或预防由EP1受体介导的疾病或紊乱的药物的用途，以及包含它们的药物组合物。
• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSES ORGANIQUES
  申请人：SPEEDEL EXPERIMENTA AG

  公开号：WO2005090304A1

  公开（公告）日：2005-09-29

  The invention relates to novel amino alcohols of the general formula (I) where X, R1, R2, R3, R4, R5 and R6 are each as defined in detail in the description, to a process for their preparation and to the use of these compounds as medicines, in particular as renin inhibitors.

  这项发明涉及一般式(I)的新型氨基醇，其中X、R1、R2、R3、R4、R5和R6的定义详细描述在说明书中，以及它们的制备方法和将这些化合物用作药物，特别是作为肾素抑制剂。
• ORGANIC COMPOUNDS
  申请人：Breitenstein Werner

  公开号：US20090233920A1

  公开（公告）日：2009-09-17

  The invention relates to 3,5-substituted piperidine compounds, these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (=disorder) that depends on activity of renin; the use of a compound of that class for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on activity of renin; the use of a compound of that class in the treatment of a disease that depends on activity of renin; pharmaceutical formulations comprising a 3,5-substituted piperidine compound, and/or a method of treatment comprising administering a 3,5-substituted piperidine compound, a method for the manufacture of a 3,5-substituted piperidine compound, and novel intermediates and partial steps for its synthesis. The preferred compounds (which can also be present as salts) have the formula I wherein R1, R2, T, R3 and R4 are as defined in the specification.

  该发明涉及3,5-取代哌啶化合物，这些化合物用于诊断和治疗温血动物，特别是用于治疗依赖肾素活性的疾病（=紊乱）；该类化合物用于制备用于治疗依赖肾素活性疾病的药物配方；该类化合物用于治疗依赖肾素活性的疾病；包括3,5-取代哌啶化合物的药物配方，和/或包括给予3,5-取代哌啶化合物的治疗方法，一种用于制造3,5-取代哌啶化合物的方法，以及其合成的新中间体和部分步骤。优选的化合物（也可以存在为盐）具有式I的结构，其中R1、R2、T、R3和R4如规范中定义。