4-(2-Methoxy-carbonyl-vinyl)-phenyl-boronic acid | 380430-58-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 4-(2-Methoxy-carbonyl-vinyl)-phenyl-boronic acid
• 英文别名: 4-(3-methoxy-3-oxoprop-1-enyl)phenylboronic acid；[4-(3-Methoxy-3-oxoprop-1-enyl)phenyl]boronic acid
• CAS: 380430-58-0
• 化学式: C₁₀H₁₁BO₄
• 分子量: 206.006
• InChiKey: BIKAXBPCHWDATP-UHFFFAOYSA-N

物化性质

• 熔点：
  234-240°C
• 沸点：
  393.7±44.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.45
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险类别码：
  R36/37/38
• 海关编码：
  2931900090
• 安全说明：
  S26,S36/37/39

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
4-(E-3-Methoxy-3-oxo-1-propen-1-yl)phenylboronic acid
Product Name:
Synonyms: Methyl 4-boronocinnamate

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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.
4-(E-3-Methoxy-3-oxo-1-propen-1-yl)phenylboronic acid
Ingredient name:
CAS number: 380430-58-0

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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.

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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: C10H11BO4
Molecular weight: 206.0

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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.

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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：

  9,10-二溴蒽 、 4-(2-Methoxy-carbonyl-vinyl)-phenyl-boronic acid 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 72.0h， 以85%的产率得到4,4'-(9,10-anthracenediyl)dicinnamic acid dimethyl ester
  参考文献：
  名称：

  具有新型蒽二羧酸盐配体的锌和镉基配位聚合物，用于高选择性检测过氧化氢

  摘要：

  基于新型蒽衍生物的一维{[Zn（L）（DMF）2 ]} n（1）和三维{[Cd（L）（DMF）]·DMF} n（2）配位聚合物通过溶剂热合成获得H 2 L（H 2 L = 4,4'-（9,10-蒽二基）二肉桂酸），并通过单晶和粉末X射线衍射，热重分析和红外光谱表征。蒽衍生物H 2 L以及配位聚合物1和2用于修饰玻碳电极，并因此用作检测H 2 O 2的活性材料。。在所有三种情况下，电位范围为0至-0.5 V的循环伏安图均显示出浓度依赖性阴极电流，其检测下限为200μM。用化合物2修饰的电极在过氧化氢检测方面表现出最好的性能。结果表明，基于高度共轭配体的无机聚合物修饰的电极的开发可以用作潜在的电催化材料。

  DOI：

  10.1039/d0dt00333f

文献信息

• Zn- and Cd-based coordination polymers with a novel anthracene dicarboxylate ligand for highly selective detection of hydrogen peroxide
  作者：Angela Aleksovska、Peter Lönnecke、Evamarie Hey-Hawkins

  DOI：10.1039/d0dt00333f

  日期：——

  A one-dimensional [Zn(L)(DMF)2]}n (1) and a three-dimensional [Cd(L)(DMF)]·DMF}n (2) coordination polymer based on the novel anthracene derivative H2L (H2L = 4,4′-(9,10-anthracenediyl)dicinnamic acid) were obtained by solvothermal synthesis and charaterised by single-crystal and powder X-ray diffraction, thermogravimetry, and infrared spectroscopy. The anthracene derivative H2L and coordination polymers

  基于新型蒽衍生物的一维[Zn（L）（DMF）2 ]} n（1）和三维[Cd（L）（DMF）]·DMF} n（2）配位聚合物通过溶剂热合成获得H 2 L（H 2 L = 4,4'-（9,10-蒽二基）二肉桂酸），并通过单晶和粉末X射线衍射，热重分析和红外光谱表征。蒽衍生物H 2 L以及配位聚合物1和2用于修饰玻碳电极，并因此用作检测H 2 O 2的活性材料。。在所有三种情况下，电位范围为0至-0.5 V的循环伏安图均显示出浓度依赖性阴极电流，其检测下限为200μM。用化合物2修饰的电极在过氧化氢检测方面表现出最好的性能。结果表明，基于高度共轭配体的无机聚合物修饰的电极的开发可以用作潜在的电催化材料。