4-(2-溴乙氧基)苯硼酸频哪酯 | 913836-27-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-(2-溴乙氧基)苯硼酸频哪酯
• 中文别名: 4-(2-溴乙氧基)苯基硼酸频哪醇酯
• 英文名称: 2-(4-(2-bromoethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 英文别名: 2-[4-(2-bromoethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• CAS: 913836-27-8
• 化学式: C₁₄H₂₀BBrO₃
• 分子量: 327.026
• InChiKey: NTTOMYNPPZBRBG-UHFFFAOYSA-N

物化性质

• 熔点：
  90-92
• 沸点：
  391.9±27.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.76
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 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-(2-Bromoethoxy)phenylboronic acid, pinacol ester
Synonyms:

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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-(2-Bromoethoxy)phenylboronic acid, pinacol ester
CAS number: 913836-27-8

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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: C14H20BBrO3
Molecular weight: 327.0

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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, hydrogen bromide.

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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-(2-溴乙氧基)苯硼酸频哪酯 在 四(三苯基膦)钯 、 sodium azide 、 sodium carbonate 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 21.0h， 生成 5-(4-(2-azidoethoxy)phenyl)-3-benzylpyrazine-2-amine
  参考文献：
  名称：

  蛍光色素結合セレンテラジン

  摘要：

  通过修饰Selenetrazine，提供一种通过海葱苷酶（Rluc）-Selenetrazine发光系统来延长发光波长的技术。通用式[I]表示的荧光染料结合Selenetrazine。（其中A代表含有荧光染料的荧光染料部分）图3。

  公开号：

  JP2016050296A
• 作为产物：
  描述：

  4-溴苯酚 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 potassium acetate 、 potassium carbonate 、 potassium iodide 作用下， 以 1,4-二氧六环 、 丙酮 为溶剂， 反应 38.0h， 生成 4-(2-溴乙氧基)苯硼酸频哪酯
  参考文献：
  名称：

  含有吡啶甲酸衍生物的双核铱 (III) 配合物的合成和光电特性通过与 DAD 核的非共轭连接

  摘要：

  合成并表征了一种含有(C 8 TPAPhOC 2 FIrpic) 2 BT非共轭桥连吡啶甲酸配体的新型双核铱(Ⅲ)配合物，其具有DAD核心，其中DAD核心由苯并[ c ][1, 2,5]噻二唑 (BT) 和三苯氨基 (TPA) 单元。对其光物理、电化学和电致发光特性进行了初步研究。发现这种双核铱（Ⅲ）配合物表现出相似的光致发光和电致发光曲线，但与单发射层有机发光器件中的吡啶甲酸配体相比具有更高的亮度和效率。最大亮度 7404 cd/m 2在 (C 8 TPAPhOC 2 FIrpic) 2 BT 器件中获得了 0.81 cd/A 的电流效率。观察到从末端铱络合物单元到吡啶甲酸配体的有效能量转移。这项工作表明，具有 DAD 核心的吡啶甲酸配体可以促进双核铱 (III) 配合物表现出基于辅助配体的红色发射。

  DOI：

  10.1016/j.jorganchem.2021.122202

文献信息

• Nickel-catalyzed reductive coupling of unactivated alkyl bromides and aliphatic aldehydes
  作者：Cole L. Cruz、John Montgomery

  DOI：10.1039/d1sc03712a

  日期：——

  A mild, convenient coupling of aliphatic aldehydes and unactivated alkyl bromides has been developed. The catalytic system features the use of a common Ni(II) precatalyst and a readily available bioxazoline ligand and affords silyl-protected secondary alcohols. The reaction is operationally simple, utilizing Mn as a stoichiometric reductant, and tolerates a wide range of functional groups. The use

  已开发出一种温和、方便的脂肪醛和未活化烷基溴的偶联方法。该催化系统使用常见的 Ni( II ) 预催化剂和易于获得的生物恶唑啉配体，并提供甲硅烷基保护的仲醇。该反应操作简单，使用 Mn 作为化学计量还原剂，并且可以耐受多种官能团。使用 1,5-己二烯作为添加剂是一个重要的反应参数，可显着提高产量。最初的机械实验支持一种以 α-甲硅烷氧基镍物种为特征的机制，该物种通过还原性交叉偶联途径对烷基溴进行正式氧化加成。
• 蛍光色素結合セレンテラジン
  申请人：学校法人慶應義塾

  公开号：JP2016050296A

  公开（公告）日：2016-04-11

  【課題】セレンテラジンを修飾することによる、ウミシイタケルシフェラーゼ(Rluc)-セレンテラジン発光系による発光の波長を長波長化する技術の提供。【解決手段】一般式[I]で表される蛍光色素結合セレンテラジン。（Ａは、蛍光色素を含む蛍光色素部）【選択図】図３

  通过修饰Selenetrazine，提供一种通过海葱苷酶（Rluc）-Selenetrazine发光系统来延长发光波长的技术。通用式[I]表示的荧光染料结合Selenetrazine。（其中A代表含有荧光染料的荧光染料部分）图3。
• Enantioselective Rhodium-Catalyzed Arylation of Cyclic <i>N</i>-Sulfamidate Alkylketimines: A New Access to Chiral β-Alkyl-β-aryl Amino Alcohols
  作者：Ya-Jing Chen、Ya-Heng Chen、Chen-Guo Feng、Guo-Qiang Lin

  DOI：10.1021/ol501464e

  日期：2014.6.20

  The enantioselective rhodium-catalyzed 1,2-addition of arylboronates to cyclic N-sulfamidate alkylketimines was developed. With a rhodium/diene complex as catalyst, high enantioselectivity and broad functional group tolerance were observed. The resulting sulfamidates can easily be converted into chiral β-alkyl-β-aryl amino alcohols.

  开发了对映体选择性的铑催化的芳基硼酸酯到环状N-磺酰胺酸酯烷基酮亚胺的1，2-加成反应。以铑/二烯配合物为催化剂，观察到高对映选择性和宽泛的官能团耐受性。所得的氨基磺酸盐可以容易地转化为手性β-烷基-β-芳基氨基醇。
• 6H-IMIDAZO[1,5-a]PYRROLO[2,3-e]PYRAZINE COMPOUNDS
  申请人：Breinlinger Eric

  公开号：US20140315883A1

  公开（公告）日：2014-10-23

  The invention provides a compound of Formula (I as defined herein, pharmaceutically acceptable salts, pro-drugs, biologically active metabolites, stereoisomers and isomers thereof wherein the variables are defined herein. The compounds of the invention are useful for treating immunological and oncological conditions.

  该发明提供了一种符合本处定义的化合物的化学式(I)，包括药用盐、前药、生物活性代谢物、立体异构体和同分异构体，其中变量在本处定义。该发明的化合物可用于治疗免疫和肿瘤病症。
• [EN] 6H-IMIDAZO[1,5-a]PYRROLO[2,3-e]PYRAZINE COMPOUNDS<br/>[FR] COMPOSÉS 6H-IMIDAZO[1,5-A]PYRROLO[2,3-E]PYRAZINES
  申请人：ABBVIE INC

  公开号：WO2014169473A1

  公开（公告）日：2014-10-23

  The invention provides a compound of Formula (I) as defined herein, pharmaceutically acceptable salts, pro-drugs, biologically active metabolites, stereoisomers and isomers thereof wherein the variables are defined herein. The compounds of the invention are useful for treating immunological and oncological conditions.

  本发明提供了一种公式（I）的化合物，其定义如下，包括药物可接受的盐，前药，生物活性代谢物，立体异构体和其异构体，其中变量如下定义。本发明的化合物适用于治疗免疫和肿瘤疾病。