2-甲氧基-5-吡啶硼酸盐酸盐 | 370864-57-6

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-甲氧基-5-吡啶硼酸盐酸盐
• 中文别名: 2-甲氧基砒啶-5-硼酸盐酸盐；2-甲氧基吡啶-5-硼酸盐酸盐
• 英文名称: 6-methoxypyridin-3-ylboronic acid hydrochloride
• 英文别名: (6-Methoxypyridin-3-yl)boronic acid hydrochloride；(6-methoxypyridin-3-yl)boronic acid;hydrochloride
• CAS: 370864-57-6
• 化学式: C₆H₈BNO₃*ClH
• mdl: MFCD04973740
• 分子量: 189.406
• InChiKey: ONRXOFWLDRHAFP-UHFFFAOYSA-N

物化性质

• 熔点：
  156-160

计算性质

• 辛醇/水分配系数(LogP)：
  0.77
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  62.6
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
2-Methoxypyridine-5-boronic acid, HCl
Product Name:
Synonyms: (2-Methoxy-5-pyridinyl)boronic acid, HCl

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
2-Methoxypyridine-5-boronic acid, HCl
Ingredient name:
CAS number: 370864-57-6

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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, under −20◦C.
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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H9BClNO3
Molecular weight: 189.4

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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

反应信息

• 作为反应物：
  描述：

  6-bromonicotinic acid hydrochloride 、 2-甲氧基-5-吡啶硼酸盐酸盐 、 disodium;carbonate 生成 6'-methoxy-2,3'-bipyridine-5-carboxylic acid
  参考文献：
  名称：

  1-aroyl-piperidinyl benzamidines

  摘要：

  本发明涉及以下公式的化合物，其抑制因子Xa或胰蛋白酶，以及含有这些化合物的制药组合物，以及利用这些化合物治疗因子Xa或胰蛋白酶抑制剂治疗可以改善的病患的用途。

  公开号：

  US07947684B2
• 作为产物：
  描述：

  5-溴-2-甲氧基吡啶 、 正丁基锂 、 硼酸三异丙酯 以 四氢呋喃 为溶剂， 生成 2-甲氧基-5-吡啶硼酸盐酸盐
  参考文献：
  名称：

  1-aroyl-piperidinyl benzamidines

  摘要：

  该发明涉及一种公式1的化合物，其能够抑制Xa因子或胰蛋白酶，以及含有这些化合物的药物组合物，以及利用这些化合物治疗患有可以通过给予Xa因子或胰蛋白酶抑制剂而得到改善的病患的方法。

  公开号：

  US20020045613A1

文献信息

• 1-Aroyl-piperidinyl benzamidines
  申请人：AVENTIS PHARMACEUTICALS INC

  公开号：US20040220171A1

  公开（公告）日：2004-11-04

  This invention relates to compounds of formula 1 which inhibit Factor Xa or tryptase, to pharmaceutical compositions containing the compounds, and to the use of the compounds for the treatment of patients suffering from conditions which can be ameliorated by the administration of an inhibitor of Factor Xa or tryptase.

  本发明涉及式1化合物，其抑制因子Xa或胰蛋白酶，以及含有该化合物的药物组合物，以及使用该化合物治疗患有可通过给予因子Xa或胰蛋白酶抑制剂治疗的疾病的患者的用途。
• 1-aroyl-piperidinyl benzamidines
  申请人：——

  公开号：US20020045613A1

  公开（公告）日：2002-04-18

  This invention relates to compounds of formula 1 which inhibit Factor Xa or tryptase, to pharmaceutical compositions containing the compounds, and to the use of the compounds for the treatment of patients suffering from conditions which can be ameliorated by the administration of an inhibitor of Factor Xa or tryptase.

  该发明涉及一种公式1的化合物，其能够抑制Xa因子或胰蛋白酶，以及含有这些化合物的药物组合物，以及利用这些化合物治疗患有可以通过给予Xa因子或胰蛋白酶抑制剂而得到改善的病患的方法。