2-异丙氧基-5-三氟甲氧基苯硼酸 | 290832-43-8

• 物质功能分类: 化学试剂 - 有机试剂 - 硼酸
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-异丙氧基-5-三氟甲氧基苯硼酸
• 英文名称: [2-methoxy-5-(trifluoromethoxy)phenyl]boronic acid
• 英文别名: 2-methoxy-5-trifluoromethoxybenzeneboronic acid；2-Methoxy-5-(trifluoromethoxy)phenylboronic acid
• CAS: 290832-43-8
• 化学式: C₈H₈BF₃O₄
• 分子量: 235.955
• InChiKey: PZDNMFGRXYPDJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.27
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  7

安全信息

• 海关编码：
  2931900090
• 危险性防范说明：
  P233,P260,P261,P264,P270,P271,P280,P301+P312,P302+P352,P304
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Methoxy-5-(trifluoromethoxy)phenylboronic acid
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: 2-Methoxy-5-(trifluoromethoxy)phenylboronic acid
CAS number: 290832-43-8

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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: C8H8BF3O4
Molecular weight: 236.0

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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, 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
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：

  2-异丙氧基-5-三氟甲氧基苯硼酸 在 三溴化硼 、 水 作用下， 以 二氯甲烷 为溶剂， 反应 3.83h， 生成 2-hydroxy-5-(trifluoromethoxy)phenylboronic acid
  参考文献：
  名称：

  [EN] CHEMICAL COMPOUNDS
  [FR] COMPOSÉS CHIMIQUES

  摘要：

  公开号：

  WO2012004706A3
• 作为产物：
  描述：

  2-Bromo-4-(trifluoromethoxy)phenol 在 正丁基锂 、 potassium carbonate 作用下， 以 四氢呋喃 、 正己烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.25h， 生成 2-异丙氧基-5-三氟甲氧基苯硼酸
  参考文献：
  名称：

  2-aryl indole derivative as antagonists of tachykinins

  摘要：

  本发明涉及以下式（I）的化合物：其中R1a、R1b、R2、R3、R4、R5、X和n在此有所定义。这些化合物特别适用于治疗或预防抑郁症、焦虑、疼痛、炎症、偏头痛、呕吐和带状疱疹后神经痛。

  公开号：

  US06518273B1

文献信息

• [EN] 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS<br/>[FR] 2-ARYLPYRAZINES SUBSTITUEES EN 5 COMME MODULATEURS SUR LES RECEPTEURS CRF
  申请人：NEUROGEN CORP

  公开号：WO2004018437A1

  公开（公告）日：2004-03-04

  Novel 5-substituted-2-arylpyrazine compounds are provided. Such compounds can act as selective modulators of CRF receptors. The 5-substituted-2-arylpyrazine compounds provided herein are useful in the treatment of a number of CNS and peripheral disorders, particularly stress, anxiety, depression, cardiovascular disorders, and eating disorders. Methods of treatment of such disorders and well as packaged pharmaceutical compositions are also provided. Compounds provided are also useful as probes for the localization of CRF receptors and as standards in assays for CRF receptor binding. Methods of using the compounds in receptor localization studies are given.

  提供了一种新型的5-取代-2-芳基吡嗪化合物。这些化合物可以作为CRF受体的选择性调节剂。本文提供的5-取代-2-芳基吡嗪化合物在治疗多种中枢神经系统和外周疾病方面具有用途，特别是压力、焦虑、抑郁、心血管疾病和进食障碍。还提供了治疗这些疾病的方法以及包装的药物组合物。提供的化合物还可用作CRF受体的定位探针和CRF受体结合测定中的标准。给出了在受体定位研究中使用这些化合物的方法。
• Substituted arylpyrazines
  申请人：——

  公开号：US20030018035A1

  公开（公告）日：2003-01-23

  Arylpyrazine compounds are provided, including arylpyrazines that can bind with high affinity and high selectivity to CRF 1 receptors, including human CRF 1 receptors. The invention thus includes methods for treatment of disorders and diseases associated with CRF 1 receptors, including CNS-related disorders and diseases, particularly affective disorders and diseases, and acute and chronic neurological disorders and diseases.

  提供了芳基吡嗪化合物，包括可以与CRF1受体结合并具有高亲和力和高选择性的芳基吡嗪，包括人类CRF1受体。因此，该发明涉及用于治疗与CRF1受体相关的疾病和疾病的方法，包括与中枢神经系统相关的疾病和疾病，特别是情感障碍和疾病以及急性和慢性神经系统疾病。
• 5-substituted-2-arylpyrazines
  申请人：Neurogen Corporation

  公开号：US07179807B2

  公开（公告）日：2007-02-20

  Novel 5-substituted-2-arylpyrazine compounds are provided. Such compounds can act as selective modulators or CRF receptors. Compounds of the invention are provided by the following formula: The 5-substituted-2-arylpyrazine compounds provided herein are useful in the treatment of a number of CNS and periphercal disorders, particularly stress, anxiety, depression, cardiovascular disorders, and eating disorders. Methods of treatment of such disorders and well as packaged pharmaceutical compositions are also provided. Compounds provided are also useful as probes for the localization of CRF receptors and as standards in assays for CRF receptor binding. Methods of using the compounds in receptor localization studies are given.

  提供了一种新型的5-取代-2-芳基吡嗪化合物。这些化合物可以作为选择性调节剂或CRF受体。发明的化合物由以下公式提供：本文提供的5-取代-2-芳基吡嗪化合物在治疗多种中枢神经系统和外周疾病中有用，特别是应激、焦虑、抑郁、心血管疾病和进食障碍。还提供了治疗这些疾病的方法以及包装的药物组合物。所提供的化合物还可用作CRF受体定位的探针，以及CRF受体结合测定中的标准。给出了在受体定位研究中使用这些化合物的方法。
• 5-Substituted-2-arylpyrazines
  申请人：Yoon Taeyoung

  公开号：US20070043056A1

  公开（公告）日：2007-02-22

  Novel 5-substituted-2-arylpyrazine compounds are provided. Such compounds can act as selective modulators of CRF receptors. The 5-substituted-2-arylpyrazine compounds provided herein are useful in the treatment of a number of CNS and periphereal disorders, particularly stress, anxiety, depression, cardiovascular disorders, and eating disorders. Methods of treatment of such disorders and well as packaged pharmaceutical compositions are also provided. Compounds provided are also useful as probes for the localization of CRF receptors and as standards in assays for CRF receptor binding. Methods of using the compounds in receptor localization studies are given.

  本发明提供了一种新型的5-取代-2-芳基吡嗪化合物。这些化合物可作为选择性CRF受体调节剂。本文提供的5-取代-2-芳基吡嗪化合物在治疗多种中枢神经系统和外周疾病方面具有用途，尤其是在应对压力、焦虑、抑郁、心血管疾病和进食障碍方面。同时，本发明还提供了治疗这些疾病的方法以及包装的制药组合物。这些化合物还可用作CRF受体定位的探针和CRF受体结合测定的标准物质。本文还提供了使用这些化合物进行受体定位研究的方法。
• Chemical Compounds
  申请人：Markworth Christopher John

  公开号：US20130109667A1

  公开（公告）日：2013-05-02

  The invention relates to new sulfonamide Nav1.7 inhibitors and pharmaceutically acceptable salts thereof, to their use in medicine, to compositions containing them, to processes for their preparation and to intermediates used in such processes. Nav 1.7 inhibitors are potentially useful in the treatment of a wide range of disorders, particularly pain.

  本发明涉及新的磺酰胺Nav1.7抑制剂及其医药上可接受的盐，它们在医学上的应用，包含它们的组合物，它们的制备过程以及在这些过程中使用的中间体。Nav 1.7抑制剂在治疗各种疾病中具有潜在的用途，特别是在治疗疼痛方面。