2-[(2-甲氧基乙氧基)甲基]苯硼酸 | 858126-53-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-[(2-甲氧基乙氧基)甲基]苯硼酸
• 中文别名: 2-((2-甲氧基乙氧基)甲基)苯基硼酸
• 英文名称: 2-[(2-methoxyethoxy)methyl]phenylboronic acid
• 英文别名: (2-((2-Methoxyethoxy)methyl)phenyl)boronic acid；[2-(2-methoxyethoxymethyl)phenyl]boronic acid
• CAS: 858126-53-1
• 化学式: C₁₀H₁₅BO₄
• 分子量: 210.038
• InChiKey: XZPRANQGQMHIFV-UHFFFAOYSA-N

物化性质

• 沸点：
  359.4±52.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.47
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-[(2-methoxyethoxy)methyl]phenylboronic acid
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: 2-[(2-methoxyethoxy)methyl]phenylboronic acid
CAS number: 858126-53-1

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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, refrigerated.
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: C10H15BO4
Molecular weight: 210.0

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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：

  2,6-二溴吡啶 、 2-[(2-甲氧基乙氧基)甲基]苯硼酸 在 tris(dibenzylideneacetone)dipalladium (0) 、 tri tert-butylphosphoniumtetrafluoroborate 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以90%的产率得到2,6-Bis{2-[(2-methoxyethoxy)methyl]phenyl}pyridine
  参考文献：
  名称：

  Structural studies of biarylpyridines fluorophores lead to the identification of promising long wavelength emitters for use in fluorescent chemosensors

  摘要：

  Fluorescent chemosensors-molecules whose fluorescence emission changes in response to a reversible binding event-require both a substrate binding domain and a reporting fluorophore. Our approach to chemosensor development is based on a combination of a new signaling mechanism and a modular fluorophore synthesis. The latter feature has facilitated detailed study of the properties of polyarylpyridine fluorophores, and has led to the identification of a visibly-emissive pyridine as a promising lead structure for chemosensor development. The results of this study are described herein. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.08.049

文献信息

• [EN] COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE TRADUCTION DU COLLAGÈNE 1 ET LEURS PROCÉDÉS D'UTILISATION
  申请人：ANIMA BIOTECH INC

  公开号：WO2021252555A1

  公开（公告）日：2021-12-16

  The present invention relates to novel Collagen 1 translation inhibitors, composition and methods of preparation thereof, and uses thereof for treating Fibrosis including lung, liver, kidney, cardiac and dermal fibrosis, IPF, wound healing, scarring and Gingival fibromatosis, Systemic Sclerosis, and alcoholic and non-alcoholic steatohepatitis (NASH).

  本发明涉及新型胶原蛋白1翻译抑制剂，其组成物及其制备方法，以及用于治疗包括肺部、肝脏、肾脏、心脏和皮肤纤维化、IPF、伤口愈合、瘢痕和牙龈纤维瘤病、全身性硬皮病，以及酒精性和非酒精性脂肪肝（NASH）的用途。
• Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design
  作者：Xiao-Ping Li、Rajesh K. Harijan、Bin Cao、Jennifer N. Kahn、Michael Pierce、Anastasiia M. Tsymbal、Jacques Y. Roberge、David Augeri、Nilgun E. Tumer

  DOI：10.1021/acs.jmedchem.1c01370

  日期：2021.10.28
• Structural studies of biarylpyridines fluorophores lead to the identification of promising long wavelength emitters for use in fluorescent chemosensors
  作者：A.G. Fang、J.V. Mello、N.S. Finney

  DOI：10.1016/j.tet.2004.08.049

  日期：2004.11

  Fluorescent chemosensors-molecules whose fluorescence emission changes in response to a reversible binding event-require both a substrate binding domain and a reporting fluorophore. Our approach to chemosensor development is based on a combination of a new signaling mechanism and a modular fluorophore synthesis. The latter feature has facilitated detailed study of the properties of polyarylpyridine fluorophores, and has led to the identification of a visibly-emissive pyridine as a promising lead structure for chemosensor development. The results of this study are described herein. (C) 2004 Elsevier Ltd. All rights reserved.