2-环己基氧基吡啶-3-硼酸频哪醇酯 | 1073354-43-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-环己基氧基吡啶-3-硼酸频哪醇酯
• 中文别名: 2-(环己氧基)-3-(4,4,5,5-四甲基-1,3,2-二杂氧戊硼烷-2-基)吡啶
• 英文名称: 2-(cyclohexoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• 英文别名: 2-(Cyclohexyloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pyridine；2-cyclohexyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• CAS: 1073354-43-4
• 化学式: C₁₇H₂₆BNO₃
• mdl: MFCD07781171
• 分子量: 303.209
• InChiKey: RSECBXCZEDVQLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.62
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.705
• 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

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
2-Cyclohexyloxypyridine-3-boronic acid, pinacol ester
Product Name:
Synonyms: 2-(Cyclohexyloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

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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-Cyclohexyloxypyridine-3-boronic acid, pinacol ester
Ingredient name:
CAS number: 1073354-43-4

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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: C17H26BNO3
Molecular weight: 303.2

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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, 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：

  (2S)-3-(3-bromophenyl)-2-[(3R)-1-tert-butoxycarbonylpyrrolidin-3-yl]propanoic acid 、 2-环己基氧基吡啶-3-硼酸频哪醇酯 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以46 %的产率得到(2S)-2-[(3R)-1-tert-butoxycarbonylpyrrolidin-3-yl]-3-[3-[2-(cyclohexoxy)-3-pyridyl]phenyl]propanoic acid
  参考文献：
  名称：

  [EN] PYRROLIDINE COMPOUNDS
  [FR] COMPOSÉS PYRROLIDINE

  摘要：

  The present disclosure provides compounds of the formula (III) and their pharmaceutically acceptable salts, and compounds of the formula (IV) and their pharmaceutically acceptable salts, and pharmaceutical compositions comprising these compounds, as well as intermediates for preparing the compounds.

  公开号：

  WO2023146785A1

文献信息

• [EN] PYRROLIDINE COMPOUNDS<br/>[FR] COMPOSÉS PYRROLIDINE
  申请人：[en]ELI LILLY AND COMPANY

  公开号：WO2023146785A1

  公开（公告）日：2023-08-03

  The present disclosure provides compounds of the formula (III) and their pharmaceutically acceptable salts, and compounds of the formula (IV) and their pharmaceutically acceptable salts, and pharmaceutical compositions comprising these compounds, as well as intermediates for preparing the compounds.