4-(丙酰基)苯硼酸频那醇酯 | 1256359-22-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-(丙酰基)苯硼酸频那醇酯
• 英文名称: (4-propionylphenyl)boronic acid pinacol ester
• 英文别名: 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-1-one；1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-one
• CAS: 1256359-22-4
• 化学式: C₁₅H₂₁BO₃
• 分子量: 260.141
• InChiKey: PMZSAVWIHAXJTH-UHFFFAOYSA-N

物化性质

• 沸点：
  371.1±25.0 °C(Predicted)
• 密度：
  1.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.58
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(Propionyl)phenylboronic acid pinacol ester
Synonyms: 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-1-one

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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: 4-(Propionyl)phenylboronic acid pinacol ester
CAS number: 1256359-22-4

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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: C15H21BO3
Molecular weight: 260.1

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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.

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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：

  4-(丙酰基)苯硼酸频那醇酯 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 吡啶 、 sodium carbonate 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 (2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(1-(methoxyimino)-propyl)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
  参考文献：
  名称：

  [EN] NOVEL SGLT INHIBITORS
  [FR] NOUVEAUX INHIBITEURS SGLT

  摘要：

  公开号：

  WO2012172566A3
• 作为产物：
  描述：

  溴苯 在 aluminum (III) chloride 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride potassium acetate 作用下， 以 1,4-二氧六环 为溶剂， 反应 20.0h， 生成 4-(丙酰基)苯硼酸频那醇酯
  参考文献：
  名称：

  [EN] NOVEL SGLT INHIBITORS
  [FR] NOUVEAUX INHIBITEURS SGLT

  摘要：

  公开号：

  WO2012172566A3

文献信息

• Photoredox/nickel-catalyzed hydroacylation of ethylene with aromatic acids
  作者：Lili Zhang、Shuai Chen、Hengchi He、Weipeng Li、Chengjian Zhu、Jin Xie

  DOI：10.1039/d1cc04188f

  日期：——

  We report a general, practical and scalable hydroacylation reaction of ethylene with aromatic carboxylic acids with the synergistic combination of nickel and photoredox catalysis. Under ambient temperature and pressure, feedstock chemicals such as ethylene can be converted into high-value-added aromatic ketones in moderate to good yields (up to 92%) with reaction time of 2–6 hours.

  我们报告了乙烯与芳香族羧酸在镍和光氧化还原催化的协同组合下的通用、实用和可扩展的加氢酰化反应。在环境温度和压力下，原料化学品，如乙烯可在中等至良好的产率（高达92％），用2反应时间被转化成高附加值的芳香族酮- 6小时。
• Mechanofluorochromic Properties of 1,8-Diphenylanthracene Derivatives
  作者：Takahiro Kusukawa、Yusuke Kojima、Fumihiro Kannen

  DOI：10.1246/cl.190517

  日期：2019.10.5

  Several types of 1,8-diphenylanthracene derivatives were synthesized and their photophysical properties in the solid state were determined. A relatively high fluorescence quantum yield (ϕf = >0.83)...

  合成了几种类型的 1,8-二苯基蒽衍生物，并测定了它们在固态下的光物理性质。相对较高的荧光量子产率 (ϕf = >0.83)...
• 1,2,4‐Triazole‐Based N‐Heterocyclic Carb­ene Nickel Complexes – Synthesis and Catalytic Application
  作者：Linus P. Bheeter、Duo Wei、Vincent Dorcet、Thierry Roisnel、Prasenjit Ghosh、Jean‐Baptiste Sortais、Christophe Darcel

  DOI：10.1002/ejic.201500852

  日期：2015.11

  Four nickel complexes bearing 1,2,4-triazole-based N-heterocyclic carbene backbones and a cyclopentadienyl ligand were prepd. from the corresponding 1,2,4-triazolium salts and nickelocene in THF (THF) under reflux. The obtained complexes were fully characterized, including by X-ray diffraction anal. They were then used as catalysts (5 mol-%) for the borylation of aryl bromide derivs. with bis(pinacolato)diboron

  制备了四种带有 1,2,4-三唑基 N-杂环卡宾骨架和环戊二烯基配体的镍配合物。由相应的 1,2,4-三唑鎓盐和二茂镍在 THF (THF) 中回流。获得的配合物得到了充分表征，包括通过 X 射线衍射分析。然后将它们用作芳基溴衍生物硼化反应的催化剂 (5 mol-%)。用双（频哪醇）二硼在 Cs2CO3 作为碱的 THF 中在 70°C 下反应 20 小时，以中等产率形成相应的硼化产物。
• 一种δ阿片受体拮抗剂及其用途和药物组合物
  申请人：苏州远智医药科技有限公司

  公开号：CN109896991B

  公开（公告）日：2020-11-20

  本发明公开了一种具有通式(Ⅰ)所示结构的化合物，其可药用盐、水合物或以任何形式代谢形成的代谢产物；通式(Ⅰ)所示结构的化合物在预防和/或治疗与阿尔茨海默相关的疾病和症状中的用途；包含有通式(Ⅰ)所示结构的化合物的预防和/或治疗与阿尔茨海默相关的疾病和症状的药物组合物；与现有技术相比，本发明的δ阿片受体拮抗剂同时具有理想的药物半衰期与优良的阿尔茨海默相关疾病治疗活性，是与现有化合物相比更为理想的阿尔茨海默相关疾病药物。
• NOVEL SGLT INHIBITORS
  申请人：Jain Rajesh

  公开号：US20140228303A1

  公开（公告）日：2014-08-14

  The present invention relates to novel compounds of Formula I, their pharmaceutically acceptable derivatives, tautomeric forms, isomers, polymorphs, prodrugs, metabolites, salts or solvates thereof. The invention also relates to the processes for the synthesis of novel compounds of Formula I, their pharmaceutically acceptable derivatives, tautomeric forms, isomers, polymorphs, prodrugs, metabolites, salts or solvates thereof. The present invention also provides pharmaceutical compositions comprising novel compounds of Formula I and methods of treating or preventing one or more conditions or diseases that may be regulated or normalized via inhibition of Sodium Glucose Cotransporter-2 (SGLT-2).

  本发明涉及公式I的新化合物，它们的药学可接受衍生物、互变异构体、同分异构体、多晶形、前药、代谢物、盐或其溶剂。本发明还涉及合成公式I的新化合物、其药学可接受衍生物、互变异构体、同分异构体、多晶形、前药、代谢物、盐或其溶剂的过程。本发明还提供了包含公式I的新化合物的药物组合物和通过抑制钠葡萄糖协同转运体-2（SGLT-2）调节或规范的一种或多种疾病或疾病状态的治疗或预防方法。