4-溴-2-甲氧基苯硼酸 | 889849-21-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-溴-2-甲氧基苯硼酸
• 中文别名: (4-溴-2-甲氧基苯基)硼酸
• 英文名称: 4-bromo-2-methoxyphenylboronic acid
• 英文别名: (4-bromo-2-methoxyphenyl)boronic acid
• CAS: 889849-21-2
• 化学式: C₇H₈BBrO₃
• 分子量: 230.854
• InChiKey: VJWDDRPEDLXFLY-UHFFFAOYSA-N

物化性质

• 沸点：
  354.5±52.0 °C(Predicted)
• 密度：
  1.61±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.14
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 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
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromo-2-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: 4-Bromo-2-methoxyphenylboronic acid
CAS number: 889849-21-2

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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: C7H8BBrO3
Molecular weight: 230.9

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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-溴-2-甲氧基苯硼酸 在 硝酸 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 16.0h， 以87%的产率得到5-溴-2-硝基苯甲醚
  参考文献：
  名称：

  用发烟硝酸对芳基硼酸进行 Ipso 硝化

  摘要：

  使用发烟硝酸作为硝化剂，已经开发了芳基硼酸衍生物的原位硝化。这种简便的程序提供了对各种芳族硝基化合物的有效和化学选择性访问。虽然文献中已经报道了几种活化剂和硝基源可用于这种综合有用的转化，但本报告表明这些过程可能会产生一种常见的活性试剂无水 HNO 3。动力学和机理研究表明，HNO 3中的反应级数大于2，表明• NO 2自由基是活性物质。

  DOI：

  10.1021/acs.joc.1c00886
• 作为产物：
  描述：

  4-溴-1-碘-2-甲氧基苯 在 正丁基锂 、 硼酸三甲酯 、 盐酸 作用下， 以 四氢呋喃 、 hexanes 、 水 为溶剂， 以68%的产率得到4-溴-2-甲氧基苯硼酸
  参考文献：
  名称：

  Sarcodonin、Sarcoviolin 和 Hydnellin 天然产物家族的合成指导结构修正

  摘要：

  在针对其化学合成的广泛研究之后，建议对 sarcodonin 天然产物家族（已发表的结构1a - 13a）进行全面的结构修订。修改后的结构1b 的主要特征包括用肟取代N,N-二氧化物部分、中心二酮哌嗪开环以及三联苯翼从1a的 1β-2β 位置到1b的 2β-3β 位置的转位. 这种结构修正源于苯并二恶烷氨基的偶然合成（44) 其结构由 X 射线晶体学明确确定，其光谱特性与已发表的 sarcodonins 数据非常相似。本文还报道了一种用于异羟肟酸O-芳基化的通用新方法，以及锰 (III) 介导的异羟肟酸α-氧化为胺醛。

  DOI：

  10.1021/jo102228j

文献信息

• [EN] N-ARYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS<br/>[FR] COMPOSÉS N-ARYLTRIAZOLE UTILISÉS COMME ANTAGONISTES DE LPAR
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013189865A1

  公开（公告）日：2013-12-27

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of inflammatory diseases and disorders such as, for example, pulmonary fibrosis.

  提供以下公式(I)的化合物：以及 pharmaceutically 可接受的盐，其中取代基如说明书所述。这些化合物以及包含它们的药物组合物可用于治疗炎症性疾病和障碍，例如，例如，肺纤维化。
• 一种基于三唑并吡啶的有机电致发光材料及 有机电致发光器件
  申请人：武汉尚赛光电科技有限公司

  公开号：CN110590770B

  公开（公告）日：2020-12-25

  本发明涉及光电材料应用科技领域，公开了一种基于三唑并吡啶的有机电致发光材料及有机电致发光器件。该有机电致发光材料通过特定官能团对三唑并吡啶基团的精细调控，提供了一种综合性能优良的发光主体材料和电子传输材料，有效解决现有技术中双极性主体材料作为发光主体材料时与掺杂剂之间能量回传的问题以及芳香三嗪型等发光主体材料激发态寿命相对较长引起的效率降滚问题，解决器件内电子传输和空穴阻挡能力参差不齐,导致器件的性能差异很大的问题，加快光电材料产业化发展进程。
• [EN] COMPOUNDS AND METHODS FOR MODULATING SPLICING<br/>[FR] COMPOSÉS ET PROCÉDÉS DE MODULATION DE L'ÉPISSAGE
  申请人：REMIX THERAPEUTICS INC

  公开号：WO2021174167A1

  公开（公告）日：2021-09-02

  The present disclosure features compounds and related compositions that, inter alia, modulate nucleic acid splicing, e.g., splicing of a pre-mRNA, as well as methods of use thereof.

  本公开涉及化合物和相关组合物，其中包括调节核酸剪接，例如预mRNA的剪接，以及其使用方法。
• Potent Antifungal Synergy of Phthalazinone and Isoquinolones with Azoles Against <i>Candida albicans</i>
  作者：Aaron D. Mood、Ilandari Dewage Udara Anulal Premachandra、Stanley Hiew、Fuqiang Wang、Kevin A. Scott、Nathan J. Oldenhuis、Haoping Liu、David L. Van Vranken

  DOI：10.1021/acsmedchemlett.6b00355

  日期：2017.2.9

  and one isoquinolone (CID 5224943) were previously shown to be potent enhancers of antifungal activity of fluconazole against Candida albicans. Several even more potent analogues of these compounds were identified, some with EC50 as low as 1 nM, against C. albicans. The compounds exhibited pharmacological synergy (FIC < 0.5) with fluconazole. The compounds were also shown to enhance the antifungal activity

  先前已显示四种邻苯二氮酮（CID 22334057、22333974、22334032、22334012）和一种异喹诺酮（CID 5224943）是氟康唑对白色念珠菌抗真菌活性的有效增强剂。鉴定了这些化合物的几种甚至更有效的类似物，针对白色念珠菌的EC50低至1 nM。这些化合物与氟康唑显示出药理学协同作用（FIC <0.5）。还显示了这些化合物增强了伊沙伐康唑的抗真菌活性，伊沙康康唑是最近被FDA批准的吡咯类抗真菌药。已显示异喹诺酮15和酞嗪酮24对几种白色念珠菌耐药菌具有活性。
• Copper-Catalyzed C−P Bond Construction via Direct Coupling of Phenylboronic Acids with H-Phosphonate Diesters
  作者：Rongqiang Zhuang、Jian Xu、Zhenshi Cai、Guo Tang、Meijuan Fang、Yufen Zhao

  DOI：10.1021/ol200465z

  日期：2011.4.15

  A mild and efficient method was developed for the copper-catalyzed additions of H-phosphonate diesters to boronic acids under the copper catalyst system Cu2O/1,10-phenanthroline. To the best of our knowledge this finding is the first example of a copper-catalyzed synthesis of aryl phosphonates from arylboronic acids and H-phosphonate dialkyl esters.

  开发了一种温和有效的方法，用于在铜催化剂体系Cu 2 O / 1,10-菲咯啉下，将H-膦酸酯二酯铜催化添加到硼酸中。据我们所知，该发现是铜催化从芳基硼酸和H-膦酸酯二烷基酯合成芳基膦酸酯的第一个例子。