5-硼呋喃-2-羧酸 | 852228-11-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 中文名称: 5-硼呋喃-2-羧酸
• 中文别名: 5-羧基呋喃-2-硼酸
• 英文名称: 5-boronofuran-2-carboxylic acid
• CAS: 852228-11-6
• 化学式: C₅H₅BO₅
• mdl: MFCD04113807
• 分子量: 155.903
• InChiKey: QZCYESBSCBYIFJ-UHFFFAOYSA-N

物化性质

• 沸点：
  440.6±55.0 °C(Predicted)
• 密度：
  1.55±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.05
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  90.9
• 氢给体数：
  3
• 氢受体数：
  5

安全信息

• 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: 5-Carboxyfuran-2-boronic acid
Synonyms: 5-Borono-2-furoic acid

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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: 5-Carboxyfuran-2-boronic acid
CAS number: 852228-11-6

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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.
Storage: Store in closed vessels, under −20◦C.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C5H5BO5
Molecular weight: 155.9

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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.

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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：

  5-硼呋喃-2-羧酸 在 dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II) potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 0.75h， 生成 methyl 5-{3-[6-azetidin-1-yl-2-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)pyridin-3-yl]-4-methoxyphenyl}-2-furoate
  参考文献：
  名称：

  [EN] CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR
  [FR] INHIBITEUR DE CETP SUBSTITUÉ PAR DES AMINES CYCLIQUES À BASE D'OXAZOLIDINONE

  摘要：

  具有公式I结构的化合物，包括这些化合物的药用盐，是CETP抑制剂，可用于提高HDL胆固醇，降低LDL胆固醇，并用于治疗或预防动脉粥样硬化。在公式I的化合物中，A3是一个取代苯基或茚基。公式（I）。

  公开号：

  WO2012058187A1

文献信息

• Use of Indole Derivatives as Nurr-1 Activators for the Application Thereof as a Medicament for the Treatment of Parkinson's Disease
  申请人：Amaudrut Jerome

  公开号：US20120232070A1

  公开（公告）日：2012-09-13

  Compounds derived from indole, notably useful in therapeutics, selected from: i) the compounds of formula: and ii) the pharmaceutically acceptable salts of the compounds of formula (I); in which R1, R2, R3, R4, R5, R6, R8, R9 and Cy have defined meanings, and the use of such compounds in pharmaceuticals for the treatment of neurodegenerative diseases, particularly Parkinson's disease.

  从吲哚衍生的化合物，在治疗中特别有用，从以下中选择： i) 公式的化合物： 和 ii) 公式（I）的化合物的药用盐； 其中R1、R2、R3、R4、R5、R6、R8、R9和Cy具有定义的含义，并且在制药中使用这些化合物治疗神经退行性疾病，特别是帕金森病。
• [EN] HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE<br/>[FR] DÉRIVÉS D'HYDROXY FORMAMIDE ET LEUR UTILISATION
  申请人：GLAXOSMITHKLINE IP NO 2 LTD

  公开号：WO2015104684A1

  公开（公告）日：2015-07-16

  Disclosed are compounds having the formula (I): wherein R1, R2 and R3 are as defined herein, and methods of making and using the same, including use as inhibitors of BMP1, TLL1 and/or TLL2 and in treatment of diseases associated with BMP1, TLL1 and/or TLL2 activity.

  揭示了具有以下化学式（I）的化合物：其中R1、R2和R3如本文所定义，并且制备和使用这些化合物的方法，包括用作BMP1、TLL1和/或TLL2的抑制剂以及用于治疗与BMP1、TLL1和/或TLL2活性相关的疾病。
• Salicylic Acid Derivatives Inhibit Oxalate Production in Mouse Hepatocytes with Primary Hyperoxaluria Type 1
  作者：María Dolores Moya-Garzón、Cristina Martín Higueras、Pablo Peñalver、Manuela Romera、Miguel X. Fernandes、Francisco Franco-Montalbán、José A. Gómez-Vidal、Eduardo Salido、Mónica Díaz-Gavilán

  DOI：10.1021/acs.jmedchem.8b00399

  日期：2018.8.23

  oxidase (GO) inhibition is still to be verified, most of the salicylic acids described here are GO inhibitors with IC50 values down to 3 μM. Binding mode of salicylic acids inside GO has been studied using in silico methods, and preliminary structure–activity relationships have been established. The drug-like structure and ease of synthesis of our compounds make them promising hits for structural optimization

  原发性高草酸尿症1型（PH1）是一种与乙醛酸代谢有关的罕见的威胁生命的遗传疾病，其特征是草酸钙晶体的积累。当前的治疗涉及肝和/或肾移植，这些过程具有显着的发病率和死亡率，并且需要长期的免疫抑制。因此，迫切需要药物治疗。我们在这里介绍水杨酸衍生物的空前活性，它是能够在低微摩尔范围内降低高草酰脲肝细胞中草酸盐输出的试剂，这意味着其在治疗PH1中的潜在用途。尽管这种表型活性与乙醇酸氧化酶（GO）抑制的相关性尚待验证，但此处描述的大多数水杨酸都是具有IC 50的GO抑制剂值低至3μM。水杨酸在GO内部的结合模式已通过计算机方法进行了研究，并建立了初步的结构-活性关系。类化合物的药物结构和易合成性使其成为结构优化的有前途的命中方法。
• HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE
  申请人：GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED

  公开号：US20160340328A1

  公开（公告）日：2016-11-24

  Disclosed are compounds having the formula: wherein R1, R2 and R3 are as defined herein, and methods of making and using the same, including use as inhibitors of BMP1, TLL1 and/or TLL2 and in treatment of diseases associated with BMP1, TLL1 and/or TLL2 activity.

  揭示了具有以下公式的化合物：其中R1、R2和R3如本文所定义，并且制备和使用这些化合物的方法，包括用作BMP1、TLL1和/或TLL2的抑制剂以及用于治疗与BMP1、TLL1和/或TLL2活性相关的疾病。
• [EN] SUBSTITUTED COUMARIN DYES AND USES AS FLUORESCENT LABELS<br/>[FR] COLORANTS À BASE DE COUMARINE SUBSTITUÉS ET LEURS UTILISATIONS EN TANT QUE MARQUEURS FLUORESCENTS
  申请人：ILLUMINA CAMBRIDGE LTD

  公开号：WO2022023353A1

  公开（公告）日：2022-02-03

  The present application relates to substituted coumarin derivatives and their uses as fluorescent labels. These compounds may be used as fluorescent labels for nucleotides in nucleic acid sequencing applications.

  本申请涉及取代香豆素衍生物及其作为荧光标记物的用途。这些化合物可用作核酸测序应用中核苷酸的荧光标记物。