3-乙氧基-4-甲氧基苯硼酸 | 915201-13-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-乙氧基-4-甲氧基苯硼酸
• 英文名称: (3-ethoxy-4-methoxyphenyl)boronic acid
• CAS: 915201-13-7
• 化学式: C₉H₁₃BO₄
• mdl: MFCD09972114
• 分子量: 196.011
• InChiKey: QQECMULEKNGSEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.48
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2931900090
• 危险性防范说明：
  P261,P280,P304+P340,P305+P351+P338,P405,P501
• 危险性描述：
  H302
• 储存条件：
  | 室温 |

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Ethoxy-4-methoxyphenylboronic 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: 3-Ethoxy-4-methoxyphenylboronic acid
CAS number: 915201-13-7

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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: C9H13BO4
Molecular weight: 196.0

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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：

  3-乙氧基-4-甲氧基苯硼酸 在 bis-triphenylphosphine-palladium(II) chloride 、 cerium(III) chloride 、 水 、 碳酸氢钠 、 sodium carbonate 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 氯仿 、 水 为溶剂， 反应 44.0h， 生成 2-ethoxy-3-methoxy-6H-benzo[c]chromen-6-one
  参考文献：
  名称：

  铈对2-芳基苯甲酸的光催化脱氢内酯化。

  摘要：

  已经开发出第一铈对2-芳基苯甲酸的光催化的脱氢内酯化。通过使用CeCl3作为光催化剂和O2作为末端氧化剂，这种操作简单的方案可以以克为单位快速获得合成有用的香豆素。总体而言，这为各种取代的香豆素提供了经济和环境友好的入口，香豆素是生物活性分子中的重要结构图案。

  DOI：

  10.1039/c9ob02676b
• 作为产物：
  描述：

  5-溴-2-甲氧基苯酚乙酸酯 在 正丁基锂 、 碳酸氢钠 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 30.5h， 生成 3-乙氧基-4-甲氧基苯硼酸
  参考文献：
  名称：

  手性二烯配体的铑催化剂不对称合成β-芳基β-亚氨基砜：Apremilast的合成

  摘要：

  手性铑（I）-二烯催化剂可在温和的反应条件下一步合成β-芳基β-亚氨基砜。通过选择手性二烯配体L1a或L2，可以以高的立体选择性接近手性β-芳基β-亚氨基砜靶的每个对映体。证明反应的范围，包括合成一个N保护的手性β-氨基β-苯基砜，并以有效合成富含杂原子的活性药物成分apremilast达到顶点。

  DOI：

  10.1021/acs.orglett.9b01513

文献信息

• Isoindole-imide compounds and compositions comprising and methods of using the same
  申请人：Muller W. George

  公开号：US20070049618A1

  公开（公告）日：2007-03-01

  This invention relates to isoindole-imide compounds, and pharmaceutically acceptable salts, solvates, stereoisomers, and prodrugs thereof. Methods of use, and pharmaceutical compositions of these compounds are disclosed.

  这项发明涉及异吲哚-亚胺化合物，以及它们的药物可接受的盐、溶剂化物、对映异构体和前药。这些化合物的使用方法和药物组合物已经公开。
• Methods for preparation of apremilast
  申请人：National Taiwan Normal University

  公开号：US11008288B1

  公开（公告）日：2021-05-18

  The present invention discloses a method for preparation of Apremilast. β-phthalimino vinylsulfones are reacted through the asymmetric addition reaction to form an addition product, and the drug of Apremilast can be obtained from the addition product through simple reactions. The method is a process for synthesizing Apremilast in a more efficient way.

  本发明公开了一种制备阿普利法酯的方法。通过不对称加成反应使β-邻苯二甲酰亚胺基乙烯磺酮发生反应形成加成产物，然后可以通过简单的反应从加成产物中得到阿普利法酯药物。该方法是以更高效的方式合成阿普利法酯的过程。
• Enantiopure Aromatic Saddles Bearing the Fenestrindane Core
  作者：Wai-Shing Wong、Ho-Wing Tse、Enoch Cheung、Dietmar Kuck、Hak-Fun Chow

  DOI：10.1021/acs.joc.8b02719

  日期：2019.1.18

  enantiomerically pure, configurationally stable fenestrindane-based polyaromatic compounds with saddle-like structures is reported. Seven racemic fenestrane synthetic precursors were first screened by chiral HPLC for resolvability into enantiomers. Among the three resolvable precursors, a tribenzofenestrene derivative was resolved on a semipreparative scale, and the absolute configuration of the more slowly

  报道了具有马鞍状结构的对映体纯的，构型稳定的基于芬斯达旦的聚芳族化合物的合成。首先通过手性HPLC筛选了七个外消旋芬太尼合成前体，以拆分为对映异构体。在这三种可拆分的前体中，三苯甲酰苯丁烯衍生物以半制备规模拆分，并且通过X射线晶体学确定了洗脱速度较慢的对映异构体的绝对构型。然后，将对映体纯的三苯甲芬酯经六个步骤分别转化为光学纯形式的马鞍形非斯达辛烷衍生物。两个对映体鞍对的特征是1 H和13C NMR光谱，质谱和圆二色性光谱。本文报道的所有新化合物代表了迄今为止分离的首批对映纯非天然碳环芬内酯。
• ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME
  申请人：MULLER George W.

  公开号：US20110144158A1

  公开（公告）日：2011-06-16

  This invention relates to isoindole-imide compounds, and pharmaceutically acceptable salts, solvates, stereoisomers, and prodrugs thereof. Methods of use, and pharmaceutical compositions of these compounds are disclosed.

  本发明涉及isoindole-imide化合物，以及其药学上可接受的盐、溶剂化合物、立体异构体和前药。公开了这些化合物的使用方法和制药组合物。
• 1H-imidazo[4,5-c]quinolinone derivatives
  申请人：Furet Pascal

  公开号：US08476294B2

  公开（公告）日：2013-07-02

  The invention relates to the use of 1H-imidazo[4,5-c]quinolinone derivatives and salts thereof in the treatment of protein and/or lipid kinase dependent diseases and for the manufacture of pharmaceutical preparations for the treatment of said diseases; 1H-imidazo[4,5-c]quinolinone derivatives for use in the treatment of protein and/or lipid kinase dependent diseases; a method of treatment against said diseases, comprising administering the 1H-imidazo[4,5-c]quinolinone derivatives to a warm-blooded animal, especially a human; pharmaceutical preparations comprising an 1H-imidazo[4,5-c]quinolinone derivative, especially for the treatment of a protein and/or lipid kinase dependent disease; novel 1H-imidazo[4,5-c]quinolinone derivatives; and a process for the preparation of the novel 1H-imidazo[4,5-c]quinolinone derivatives.

  本发明涉及使用1H-咪唑[4,5-c]喹啉酮衍生物及其盐治疗蛋白质和/或脂质激酶依赖性疾病，以及用于制造治疗该等疾病的药物制剂；1H-咪唑[4,5-c]喹啉酮衍生物用于治疗蛋白质和/或脂质激酶依赖性疾病；一种治疗上述疾病的方法，包括向温血动物，特别是人类，给予1H-咪唑[4,5-c]喹啉酮衍生物；包含1H-咪唑[4,5-c]喹啉酮衍生物的药物制剂，特别用于治疗蛋白质和/或脂质激酶依赖性疾病；新颖的1H-咪唑[4,5-c]喹啉酮衍生物；以及制备新颖的1H-咪唑[4,5-c]喹啉酮衍生物的方法。