4-苄氧基-3,5-二甲基苯硼酸 | 333788-94-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-苄氧基-3,5-二甲基苯硼酸
• 中文别名: 3,4-二甲氧基-6-硝基苯甲酸
• 英文名称: 4-Benzyloxy-3,5-dimethylphenylboronic acid
• 英文别名: (3,5-dimethyl-4-phenylmethoxyphenyl)boronic acid
• CAS: 333788-94-6
• 化学式: C₁₅H₁₇BO₃
• mdl: MFCD04039003
• 分子量: 256.109
• InChiKey: CJTSQFDAXDNKNQ-UHFFFAOYSA-N

物化性质

• 熔点：
  220-222°C
• 沸点：
  443.9±55.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2931900090

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 4-(Benzyloxy)-3,5-dimethylphenylboronic acid
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 4-(Benzyloxy)-3,5-dimethylphenylboronic acid
CAS number: 333788-94-6

---

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.

---

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.

---

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.

---

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:

---

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.

---

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: C15H17BO3
Molecular weight: 256.1

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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：

  2-氯苯甲醚 、 4-苄氧基-3,5-二甲基苯硼酸 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 4.0h， 以21%的产率得到
  参考文献：
  名称：

  聚（邻氨基苯硫酚）稳定的Pd纳米颗粒作为铃木交叉偶联反应的有效多相催化剂

  摘要：

  聚（Ô -aminothiophenol）（PATP） -稳定的钯纳米粒子与钯纳米粒子包埋在聚合物基质已通过混合通过一个浅显一步法途径获得ö -aminothiophenol单体和Pd（NO 3）2在酸性水溶液中，而不其他模板或表面活性剂。邻氨基苯硫酚与Pd（NO 3）2的氧化还原反应导致同时形成PATP聚合物和Pd纳米颗粒。通过TEM，FTIR，XRD，ICP-MS和XPS对PATP稳定的Pd纳米颗粒进行了表征。催化结果表明，PATP稳定的Pd纳米颗粒是铃木交叉偶联反应的高度稳定和活性催化剂，其中芳基硼酸和带有多种取代基的芳基卤化物可以实现高收率。

  DOI：

  10.1039/c7ra09947a

文献信息

• Poly(o-aminothiophenol)-stabilized Pd nanoparticles as efficient heterogenous catalysts for Suzuki cross-coupling reactions
  作者：Yuan Chen、Minggui Wang、Long Zhang、Yan Liu、Jie Han

  DOI：10.1039/c7ra09947a

  日期：——

  surfactant. The redox reaction between o-aminothiophenol and Pd(NO3)2 leads to the simultaneous formation of a PATP polymer and Pd nanoparticles. The PATP-stabilized Pd nanoparticles have been characterized by TEM, FTIR, XRD, ICP-MS and XPS. Catalytic results showed that PATP-stabilized Pd nanoparticles were highly stable and active catalysts for Suzuki cross-coupling reactions, where high yields could

  聚（Ô -aminothiophenol）（PATP） -稳定的钯纳米粒子与钯纳米粒子包埋在聚合物基质已通过混合通过一个浅显一步法途径获得ö -aminothiophenol单体和Pd（NO 3）2在酸性水溶液中，而不其他模板或表面活性剂。邻氨基苯硫酚与Pd（NO 3）2的氧化还原反应导致同时形成PATP聚合物和Pd纳米颗粒。通过TEM，FTIR，XRD，ICP-MS和XPS对PATP稳定的Pd纳米颗粒进行了表征。催化结果表明，PATP稳定的Pd纳米颗粒是铃木交叉偶联反应的高度稳定和活性催化剂，其中芳基硼酸和带有多种取代基的芳基卤化物可以实现高收率。