3,5-双(甲氧基羰基)苯硼酸 | 177735-55-6

• 物质功能分类: 化学试剂 - 有机试剂 - 硼酸
• 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: 3,5-双(甲氧基羰基)苯硼酸
• 中文别名: 3,5-二甲氧羧基苯硼酸；35-双(甲氧基羰基)苯硼酸
• 英文名称: (3,5-bis(methoxycarbonyl)phenyl)boronic acid
• 英文别名: (3,5-dimethoxycarbonyl)phenylboronic acid；3,5-bis(methoxycarbonyl)benzeneboronic acid；[3,5-bis(methoxycarbonyl)phenyl]boronic acid
• CAS: 177735-55-6
• 化学式: C₁₀H₁₁BO₆
• 分子量: 238.005
• InChiKey: WEJWFDLAZSVCJK-UHFFFAOYSA-N

物化性质

• 沸点：
  436.3±55.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.06
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 海关编码：
  2931900090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 3,5-Bis(methoxycarbonyl)phenylboronic acid
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 3,5-Bis(methoxycarbonyl)phenylboronic acid
CAS number: 177735-55-6

---

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: C10H11BO6
Molecular weight: 238.0

---

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：

  3,5-双(甲氧基羰基)苯硼酸 在 4-二甲氨基吡啶 、 四(三苯基膦)钯 作用下， 以 四氢呋喃 、 乙醇 、 水 、 甲苯 为溶剂， 反应 48.5h， 生成 dimethyl 4′-(3,5-bis(methoxycarbonyl)benzamido)-[1,1′-biphenyl]-3,5-dicarboxylate
  参考文献：
  名称：

  高度多孔的酰胺修饰的MOF-505类似物，具有高选择性的CO 2气体吸收能力†

  摘要：

  由有机连接基和金属离子/簇构成的多孔金属有机框架（MOF）可以为选择性捕获CO 2提供特殊的孔隙环境。在这项工作中，我们从具有连接酰基酰胺基团和Cu（II）-叶轮簇的纳米级线性二间苯二甲酸邻苯二甲酸酯配体设计并合成了高度多孔的酰基酰胺官能化MOF（HNUST-7）。结构分析表明，HNUST-7具有（4,4）连接的NbO型3D开放框架，其中包含两种不同类型的金属有机笼。活化后，HNUST-7的BET表面积高，为2804 m 2 g -1，大的CO 2吸收量为26.1和19.4 mmol g -1分别在273和298 K的30 bar下低于30 bar。此外，在框架内整合了优化的孔和功能位点（开放的铜位点和Lewis碱性酰胺基团）后，HNUST-7在环境条件下对CH 4和N 2表现出对CO 2的高度选择性吸附，这已通过以下方法验证：单一化合物气体吸附测量和动态色谱柱穿透实验。

  DOI：

  10.1039/c8ce00103k
• 作为产物：
  描述：

  5-氨基间苯二甲酸二甲酯 在 盐酸 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium periodate 、 potassium acetate 、 potassium iodide 、 sodium nitrite 作用下， 以 四氢呋喃 、 水 、 二甲基亚砜 、 甲苯 为溶剂， 反应 32.5h， 生成 3,5-双(甲氧基羰基)苯硼酸
  参考文献：
  名称：

  Design, synthesis and photoactivation studies of fluorous photolabels

  摘要：

  设计、合成了两种氟化二氮烯光标记物，并进行了光激活研究。光激活研究揭示了一个意外的光反应，当氟化标签直接连接到二氮烯环时，导致生成氟化烯烃。在这两种光标记物中，更高效的被确认为一种灵活的前体，可以通过添加适当的配体，针对特定的目标蛋白子集，开发氟化蛋白组学的目标特异性光亲和标记物。作为可行性的证明，向光标记物中添加了甘露糖残基，使其成为一个潜在的光亲和标记物，用于标记与甘露糖结合的蛋白质。

  DOI：

  10.1039/c1ob05748k

文献信息

• [EN] MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS<br/>[FR] DÉRIVÉS DE MANNOSE POUR LE TRAITEMENT D'INFECTIONS BACTÉRIENNES
  申请人：VERTEX PHARMA

  公开号：WO2013134415A1

  公开（公告）日：2013-09-12

  The present invention relates to compounds useful for the treatment or prevention of bacteria infections. These compounds have formula I: The invention also provides pharmaceutically acceptable compositions containing the compounds and methods of using the compositions in the treatment of bacteria infections. Finally, the invention provides processes for making compounds of the invention.

  本发明涉及用于治疗或预防细菌感染的化合物。这些化合物的公式为I：。发明还提供了包含这些化合物的药用可接受组合物，以及使用组合物治疗细菌感染的方法。最后，发明提供了制造本发明化合物的方法。
• Pyrone Diels-Alder Routes to Indolines and Hydroindolines: Syntheses of Gracilamine, Mesembrine, and Δ⁷-Mesembrenone
  作者：Pei Gan、Myles W. Smith、Nathaniel R. Braffman、Scott A. Snyder

  DOI：10.1002/anie.201510520

  日期：2016.3.7

  Although the Diels–Alder reaction has long been utilized for the preparation of numerous heterocycles, opportunities to extend its power remain. Herein, we detail a simple, modular, and robust approach that combines various amines regioselectively with 4,6‐dichloropyrone to create substrates which, under appropriate conditions, can directly deliver varied indolines and hydroindolines through [4+2]

  尽管Diels-Alder反应早已被用于制备众多杂环，但仍有扩大其功率的机会。本文中，我们详细介绍了一种简单，模块化且可靠的方法，该方法将多种胺与4,6-二氯吡喃区域选择性地结合在一起，以形成底物，这些底物在适当的条件下可以通过[4 + 2]环加成直接递送各种二氢吲哚和氢二氢吲哚，但取代模式很困难。否则访问。作为该策略力量的初步证明，已正式或通过直接全合成获得了几种不同的天然产物，并努力开发其中一种（复杂的芳科植物生物碱gracilamine），从而以线性步长提供了迄今为止最短的途径数数。
• A Ni(salen)‐Based Metal–Organic Framework: Synthesis, Structure, and Catalytic Performance for CO ₂ Cycloaddition with Epoxides
  作者：Yamei Fan、Jiawei Li、Yanwei Ren、Huanfeng Jiang

  DOI：10.1002/ejic.201700871

  日期：2017.11.24

  A three-dimensional chiral metal–organic framework based on a new enantiopure tetracarboxyl-functionalized metallosalen Ni(H4salen) exhibits high activity and size-dependent selectivity for CO2 cycloaddition with epoxides under relatively mild conditions.

  基于新的对映纯四羧基官能化金属losalen Ni（H 4 salen）的三维手性金属-有机骨架，在相对温和的条件下，对环氧化物与CO 2环加成反应表现出高活性和尺寸依赖性。
• Porous barium–organic frameworks with highly efficient catalytic capacity and fluorescence sensing ability
  作者：Fuling Liu、Yuwen Xu、Lianming Zhao、Liangliang Zhang、Wenyue Guo、Rongming Wang、Daofeng Sun

  DOI：10.1039/c5ta03680a

  日期：——

  Through single-crystal-to-single-crystal transformation, highly active Ba²⁺open metal sites are achieved in porous MOFs, which exhibit efficient catalytic capacity for the cyanosilylation of aldehydes and ketones and show excellent fluorescence sensing of DMSO molecules.

  通过单晶到单晶的转化，在多孔金属有机骨架中实现了高活性的Ba²⁺开放金属位点，这些金属位点展现出对醛和酮的氰硅烷基化反应具有高效的催化能力，并展现出对DMSO分子具有优秀的荧光传感性能。
• 酰胺基桥连六羧酸配体和金属有机框架材料及其制备方法和应用
  申请人：湖南科技大学

  公开号：CN112778153B

  公开（公告）日：2023-03-14

  本发明涉及金属有机框架材料领域，公开了一种酰胺基桥连六羧酸配体和金属有机框架材料及其制备方法和应用。该酰胺基桥连六羧酸配体具有式(Ⅰ)所示的结构。本发明提供的制备酰胺基修饰金属有机框架材料的方法具有合成原料廉价易得、反应条件温和、操作简单、副产物少且易于大批量制备的特点；本发明提供的酰胺基修饰金属有机框架材料具有性质稳定、比表面积大、性能易于调控、选择性吸附CO