3-(氯甲基)-6-(三氟甲基)吡啶 | 7471-58-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 3-(氯甲基)-6-(三氟甲基)吡啶
• 中文别名: 2(1H)-喹唑啉酮
• 英文名称: 2-hydroxyquinazoline
• 英文别名: hydroxyquinazoline；1H-quinazolin-2-one；quinazolinol；2-Hydroxy-chinazolin；2(1H)-Quinazolinone；1H-quinazolin-2-one
• CAS: 7471-58-1
• 化学式: C₈H₆N₂O
• 分子量: 146.148
• InChiKey: AVRPFRMDMNDIDH-UHFFFAOYSA-N

物化性质

• 熔点：
  250 °C
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2933990090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Quinazolin-2-ol
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: Quinazolin-2-ol
CAS number: 7471-58-1

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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: C8H6N2O
Molecular weight: 146.1

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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.

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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：

  3-(氯甲基)-6-(三氟甲基)吡啶 在 甲酸 作用下， 反应 0.5h， 生成 3,4-二氢-1H-喹唑啉-2-酮
  参考文献：
  名称：

  通过无金属 Leuckart-Wallach 型反应合成取代的 3,4-二氢喹唑啉酮

  摘要：

  由于基于这种核心结构的大量生物活性化合物，3,4-二氢喹唑啉酮 (DHQ) 部分在药物化学中是一种非常有价值的支架。目前获取这些化合物的合成方法在多样性和灵活性方面受到限制，并且通常需要使用有毒试剂或昂贵的过渡金属催化剂。在这里，我们描述了一种新型级联环化/Leuckart-Wallach 类型策略的发现和开发，该策略使用易于获得的起始材料以模块化和高效的过程制备取代的 DHQ。值得注意的是，该反应仅需要添加甲酸或乙酸/甲酸并产生 H 2 O、CO 2和甲醇作为唯一的反应副产物。总体而言，该反应为这类重要化合物提供了一个有吸引力的切入点，甚至可以通过氘原子的位点选择性掺入扩展到同位素标记。

  DOI：

  10.1039/d0ra10142g
• 作为产物：
  描述：

  2-氨基-4-氟苯甲酸甲酯 在 ammonium formate 、 formamide 作用下， 以 水 为溶剂， 生成 3-(氯甲基)-6-(三氟甲基)吡啶
  参考文献：
  名称：

  Nitrogenous heterocylic compounds

  摘要：

  本发明涉及含氮杂环化合物及其药学上可接受的盐，具有对激酶磷酸化的抑制活性，从而抑制了这些激酶的活性。本发明还涉及一种通过抑制激酶的磷酸化来抑制激酶并治疗哺乳动物疾病状态的方法。在特定方面，本发明提供了含氮杂环化合物及其药学上可接受的盐，抑制PDGF受体的磷酸化，以阻止异常细胞生长和细胞游走，并预防或治疗细胞增殖性疾病，如动脉硬化、血管再狭窄、癌症和肾小球硬化。

  公开号：

  US20040186110A1
• 作为试剂：
  描述：

  、 邻乙酰氨基苯甲酸 、 乙酸酐 、 乙酸铵 、 正庚烷 在 乙酸酐 、 正庚烷 、 溶剂黄146 、 3-(氯甲基)-6-(三氟甲基)吡啶 作用下， 反应 12.0h， 以The product 4-quinazolone (7) was isolated的产率得到3,4-dihydro-4-oxo-2,6,7-trimethylquinazoline
  参考文献：
  名称：

  Process for preparing quinazolones

  摘要：

  本发明提供了一种制备喹唑酮的方法，包括以下步骤：(a) 在脱水剂和有机溶剂的存在下，在适当的时间、温度和压力条件下脱水N-酰基β-氨基酸以形成氧杂环酮；(b) 向所述氧杂环酮中加入羧酸和羧酸的一次胺盐，形成混合物；(c) 在适当的时间、温度和压力条件下，用共沸法蒸馏所述混合物，以实质性地去除所述脱水剂和所述有机溶剂；(d) 在适当的时间、温度和压力条件下加热步骤(c)的产物，以形成所述喹唑酮。

  公开号：

  US05739330A1

文献信息

• Npy antagonists, preparation and uses
  申请人：Botez Iuliana

  公开号：US20090233910A1

  公开（公告）日：2009-09-17

  The present invention concerns novel compounds, their preparation and their uses, therapeutic uses in particular. More specifically it concerns derivative compounds having at least two aromatic cycles, their preparation and their uses, in particular in the area of human or animal health. These compounds have an affinity for the biological receptors of neuropeptide Y, NPY, present in the central and peripheral nervous systems. The compounds of the invention are preferably NPY antagonists, and more particularly antagonists of sub-type NPY Y1, and can therefore be used for the therapeutic or prophylactic treatment of any disorder involving NPY. The present invention also concerns pharmaceutical compositions containing said compounds, their preparation and their uses, as well as treatment methods using said compounds.

  本发明涉及新颖化合物，它们的制备和用途，特别是在治疗方面的用途。更具体地说，它涉及至少具有两个芳香环的衍生化合物，它们的制备和用途，特别是在人类或动物健康领域。这些化合物对存在于中枢和外周神经系统中的神经肽Y（NPY）的生物受体具有亲和力。本发明的化合物优选为NPY拮抗剂，更具体地说是NPY Y1亚型的拮抗剂，因此可用于治疗或预防涉及NPY的任何疾病。本发明还涉及含有所述化合物的药物组合物，其制备和用途，以及使用所述化合物的治疗方法。
• [EN] COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS<br/>[FR] COMPOSÉS ET PROCÉDÉS POUR LA DÉGRADATION CIBLÉE DE PROTÉINES CONTENANT UN BROMODOMAINE
  申请人：ARVINAS INC

  公开号：WO2017030814A1

  公开（公告）日：2017-02-23

  The present invention relates to bifunctional compounds, which find utility as modulators of targeted ubiquitination, especially inhibitors of a variety of polypeptides and other proteins which are degraded and/or otherwise inhibited by bifunctional compounds according to the present invention. In particular, the present invention is directed to compounds, which contain on one end a VHL ligand which binds to the ubiquitin ligase and on the other end a moiety which binds a target protein such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of that protein. The present invention exhibits a broad range of pharmacological activities associated with compounds according to the present invention, consistent with the degradation/inhibition of targeted polypeptides.

  本发明涉及双功能化合物，其作为靶向泛素化的调节剂具有实用性，特别是根据本发明抑制各种多肽和其他蛋白质的化合物。具体而言，本发明涉及一端含有结合泛素连接酶的VHL配体，另一端含有结合靶蛋白的基团的化合物，使得靶蛋白靠近泛素连接酶以促使该蛋白的降解（和抑制）。根据本发明的化合物表现出与靶向多肽的降解/抑制一致的广泛的药理活性。
• PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF
  申请人：ANDERSON MARK B.

  公开号：US20100068197A1

  公开（公告）日：2010-03-18

  Disclosed are compounds of Formula I effective as cytotoxic agents. The compounds of this invention are useful in the treatment of a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  揭示的是作为细胞毒性剂有效的I式化合物。本发明的化合物在治疗多种临床病况中是有用的，这些病况中发生异常细胞的不受控制的生长和扩散。
• [EN] FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1<br/>[FR] DÉRIVÉS DE 1,4-DIHYDRODIOXINE FUSIONNÉS À UTILISER EN TANT QU'INHIBITEURS DE FACTEUR DE TRANSCRIPTION 1 DU CHOC THERMIQUE
  申请人：CANCER REC TECH LTD

  公开号：WO2015049535A1

  公开（公告）日：2015-04-09

  The present invention relates to compounds of formula I wherein A1, A2 R4 and Q are as defined herein. The compounds of the present invention are inhibitors of heat shock factor 1 (HSF1). In particular, the present invention relates to the use of these compounds as therapeutic agents for the treatment and/or prevention of proliferative diseases, such as cancer. The present invention also relates to processes for the preparation of these compounds, and to pharmaceutical compositions comprising them.

  本发明涉及式I的化合物，其中A1、A2、R4和Q如本文所定义。本发明的化合物是热休克因子1（HSF1）的抑制剂。具体来说，本发明涉及将这些化合物用作治疗和/或预防增殖性疾病，如癌症的治疗剂。本发明还涉及制备这些化合物的方法，以及包含它们的药物组合物。
• [EN] AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION<br/>[FR] DÉGRONIMÈRES DE C3-GLUTARIMIDE LIÉS À UNE AMINE POUR LA DÉGRADATION DE PROTÉINES CIBLES
  申请人：C4 THERAPEUTICS INC

  公开号：WO2017197051A1

  公开（公告）日：2017-11-16

  This invention provides amine-linked C3-glutarimide Degronimers and Degrons for therapeutic applications as described further herein, and methods of use and compositions thereof as well as methods for their preparation.

  这项发明提供了胺连接的C3-戊二酰亚胺Degronimers和Degrons，用于治疗应用，如本文进一步描述的，以及它们的使用方法、组合物以及它们的制备方法。