6-乙氧基吡啶-3-硼酸频哪醇酯 | 1072945-01-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 6-乙氧基吡啶-3-硼酸频哪醇酯
• 中文别名: 2-乙氧基-5-(4,4,5,5-四甲基-1,3,2-二杂氧戊硼烷-2-基)吡啶；2-乙氧基-5-(4,4,5,5-四甲基-1,3,2-二氧硼烷)-吡啶
• 英文名称: 2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• CAS: 1072945-01-7
• 化学式: C₁₃H₂₀BNO₃
• mdl: MFCD07781182
• 分子量: 249.118
• InChiKey: GXUHWEZZHFBDFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.38
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.615
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P210,P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P332+P313,P337+P313,P362,P370+P378,P403+P233,P403+P235,P405,P501
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
2-Ethoxypyridine-5-boronic acid, pinacol ester
Product Name:
Synonyms:

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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-Ethoxypyridine-5-boronic acid, pinacol ester
Ingredient name:
CAS number: 1072945-01-7

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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.
Storage: Store in closed vessels, refrigerated.

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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: C13H20BNO3
Molecular weight: 249.1

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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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  6-乙氧基吡啶-3-硼酸频哪醇酯 在 叠氮基三甲基硅烷 、 palladium 10% on activated carbon 、 氢气 、 二正丁基氧化锡 、 potassium carbonate 作用下， 以 乙二醇二甲醚 、 乙醇 、 对二甲苯 、 水 为溶剂， 反应 22.17h， 生成 4-(6-ethoxypyridin-3-yl)-2-methyl-5-(1H-tetrazol-5-yl)aniline
  参考文献：
  名称：

  TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES

  摘要：

  本发明涉及一般式(I)所描述和定义的N-(四唑基芳基)酰胺化合物，涉及包含该化合物的药物组合物和配方，以及利用该化合物制造用于治疗或预防疾病的药物组合物，特别是神经源性障碍，作为唯一药剂或与其他活性成分结合使用。

  公开号：

  US20190194148A1
• 作为产物：
  描述：

  5-溴-2-乙氧基吡啶 、 联硼酸频那醇酯 、 potassium acetate 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 氮 、 乙酸乙酯 、 水 、 magnesium sulfate 、 silica gel 、 hexanes 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 生成 6-乙氧基吡啶-3-硼酸频哪醇酯
  参考文献：
  名称：

  Ophthalmic pharmaceutical compositions of DP2 receptor antagonists

  摘要：

  本文描述了眼科药物组合物，其中眼科药物组合物以适合哺乳动物眼部给药的形式存在。本文所披露的眼科药物组合物包括至少一种DP2受体拮抗剂化合物，并用于治疗或预防眼科疾病或病况。

  公开号：

  US08785393B2

文献信息

• [EN] TETRAZOLE CONTAINING COMPOUNDS<br/>[FR] COMPOSÉS CONTENANT DU TÉTRAZOLE
  申请人：BAYER PHARMA AG

  公开号：WO2018114783A1

  公开（公告）日：2018-06-28

  The present invention relates to tetrazole containing compounds of general formula (I) as described and defined herein, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease syndrome, condition, or symptoms, in particular related to chronic pain and inflammation, as a sole agent or in combination with other active ingredients.

  本发明涉及一般式（I）所述和定义的含有四唑基的化合物，以及包含该化合物的药物组合物和配方，以及利用该化合物制造用于治疗或预防疾病综合症、病况或症状的药物组合物，特别是与慢性疼痛和炎症相关的，作为唯一药剂或与其他活性成分组合使用。
• The palladium-catalyzed cross-coupling reactions of trifluoroethyl iodide with aryl and heteroaryl boronic acid esters
  作者：Apeng Liang、Xinjian Li、Dongfeng Liu、Jingya Li、Dapeng Zou、Yangjie Wu、Yusheng Wu

  DOI：10.1039/c2cc31651j

  日期：——

  The cross-coupling reactions of 1,1,1-trifluoro-2-iodoethane with aryl and heteroaryl boronic acid esters have been successfully achieved. The new protocol allows for a convenient introduction of trifluoroethyl groups into a variety of aryl and heteroaryl moieties under mild conditions.

  1,1,1-三氟-2-碘乙烷与芳基和杂芳基硼酸酯的交叉偶联反应已成功实现。新协议允许在温和条件下将三氟乙基方便地引入各种芳基和杂芳基部分。
• N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors
  申请人：Panmira Pharmaceuticals, LLC

  公开号：US08067445B2

  公开（公告）日：2011-11-29

  Described herein are compounds that are antagonists of PGD2 receptors. Also described are pharmaceutical compositions and medicaments that include the compounds described herein that are antagonists of PGD2 receptors. Also described herein are methods of using such antagonists of PGD2 receptors, alone and in combination with other compounds, for treating respiratory, cardiovascular, and other PGD2-dependent or PGD2-mediated conditions or diseases.

  本文描述了一些PGD2受体拮抗剂化合物。还描述了包含这些PGD2受体拮抗剂化合物的药物组合物和药物。本文还描述了使用这些PGD2受体拮抗剂，单独或与其他化合物结合，治疗呼吸系统、心血管系统和其他依赖或介导于PGD2的疾病或病症的方法。
• N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS
  申请人：HUTCHINSON John Howard

  公开号：US20120058123A1

  公开（公告）日：2012-03-08

  Described herein are compounds that are antagonists of PGD 2 receptors. Also described are pharmaceutical compositions and medicaments that include the compounds described herein that are antagonists of PGD 2 receptors. Also described herein are methods of using such antagonists of PGD 2 receptors, alone and in combination with other compounds, for treating respiratory, cardiovascular, and other PGD 2 -dependent or PGD 2 -mediated conditions or diseases.

  本文描述了一些PGD2受体拮抗剂化合物。还描述了包括这些PGD2受体拮抗剂化合物的药物组合物和药物。此外，还描述了使用这些PGD2受体拮抗剂，单独或与其他化合物联合治疗呼吸系统、心血管系统和其他PGD2依赖性或PGD2介导的疾病或病症的方法。
• OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS
  申请人：Hutchinson John Howard

  公开号：US20120184496A1

  公开（公告）日：2012-07-19

  Described herein are ophthalmic pharmaceutical compositions, wherein the ophthalmic pharmaceutical compositions are in a form suitable for administration to an eye of a mammal. Ophthalmic pharmaceutical compositions disclosed herein include at least one DP 2 receptor antagonist compound and are used to treat or prevent ophthalmic diseases or conditions.

  本文描述了眼科药物组合物，其中眼科药物组合物以适合哺乳动物眼部给药的形式存在。本文所披露的眼科药物组合物包括至少一种DP2受体拮抗剂化合物，并用于治疗或预防眼科疾病或状况。