2-(1,3-二氧杂烷-2-基)吡啶-5-硼酸 | 1072952-38-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-(1,3-二氧杂烷-2-基)吡啶-5-硼酸
• 中文别名: 2-(1,3-二氧戊环-2-基)吡啶-5-硼酸；2-氨基腺苷
• 英文名称: (6-(1,3-dioxolan-2-yl)pyridin-3-yl)boronic acid
• 英文别名: [6-(1,3-dioxolan-2-yl)pyridin-3-yl]boronic acid
• CAS: 1072952-38-5
• 化学式: C₈H₁₀BNO₄
• mdl: MFCD06659509
• 分子量: 194.983
• InChiKey: CHBZOUJAMDSHIH-UHFFFAOYSA-N

物化性质

• 沸点：
  409.1±55.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.36
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.375
• 拓扑面积：
  71.8
• 氢给体数：
  2
• 氢受体数：
  5

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(1,3-Dioxolan-2-yl)pyridine-5-boronic 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-(1,3-Dioxolan-2-yl)pyridine-5-boronic acid
CAS number: 1072952-38-5

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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: C8H10BNO4
Molecular weight: 195.0

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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, nitrogen oxides.

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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-(1,3-二氧杂烷-2-基)吡啶-5-硼酸 在 四(三苯基膦)钯 、 4-甲基苯磺酸吡啶 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 、 丙酮 为溶剂， 反应 24.0h， 生成 5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine-2-carbaldehyde
  参考文献：
  名称：

  페닐 피리딘 단위를 포함하는 중합체

  摘要：

  本发明涉及包含以下化学式I结构单元的聚合物：[化学式I] 在上述式中，R1、R2、R3、R4、R5和R6分别独立地是C1到C20的脂肪基、C3到C20的芳香基或C3到C20的环烷基；a、b、d、e和f分别独立地是0或介于1到4之间的整数；c分别独立地是0或介于1到3之间的整数。在另一方面，本发明涉及用于制备上述聚合物的单体。在另一方面，本发明涉及包含化学式I结构单元的聚合物的光电子器件。

  公开号：

  KR101537428B1
• 作为产物：
  描述：

  5-溴-2-吡啶甲醛 在 正丁基锂 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 正己烷 、 甲苯 为溶剂， 反应 1.17h， 生成 2-(1,3-二氧杂烷-2-基)吡啶-5-硼酸
  参考文献：
  名称：

  全氟配体诱导经向金属立体化学生成 M8L12、M10L15 和 M12L18Prisms

  摘要：

  与较小和较高对称性多面体常见的面部 (fac) 协调相反，经向 (mer) 协调促进了更大和较低对称性棱柱金属超分子结构的产生。在这里，我们描述了选择性形成大型金属超分子棱柱的一般途径，这些棱柱仅包含 mer 配位的金属顶点。使用在其 5 位含有全氟亚苯基取代基的 2-甲酰基吡啶亚组分导致这些亚组分立体选择性地形成铁 (II) 配合物。仅观察到 mer 顶点，与以其他方式生成的统计 fac/mer 混合物相反。这种 mer 选择性自组装可用于制备四方 (M8L12)、五角 (M10L15)、和六边形 (M12L18) 棱镜通过利用所采用的不同苯胺和反离子所施加的微妙选择性。四棱柱和五棱柱之间的平衡遵循线性自由能关系，结构之间的比率与结合的苯胺的哈米特 σp(+) 参数相关。氟化和非氟化配体分别生成棱柱和四面体的对比偏好在能量上被量化，每个“不正确的配体”并入任一结构的失稳线性增加。与结合的苯胺的

  DOI：

  10.1021/jacs.6b02445

文献信息

• [EN] ESTROGEN RECEPTOR MODULATORS AND USES THEREOF<br/>[FR] MODULATEURS DE RÉCEPTEURS D'OESTROGÈNES ET LEURS UTILISATIONS
  申请人：SERAGON PHARMACEUTICALS INC

  公开号：WO2013142266A1

  公开（公告）日：2013-09-26

  Described herein are compounds that are estrogen receptor modulators. Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such estrogen receptor modulators, alone and in combination with other compounds, for treating diseases or conditions that are mediated or dependent upon estrogen receptors.

  本文描述了一些雌激素受体调节剂化合物。还描述了包括本文描述的化合物在内的药物组合物和药物，以及使用这些雌激素受体调节剂的方法，单独或与其他化合物结合，用于治疗与雌激素受体介导或依赖的疾病或症状。
• ESTROGEN RECEPTOR MODULATORS AND USES THEREOF
  申请人：Seragon Pharmaceuticals, Inc.

  公开号：US20150105403A1

  公开（公告）日：2015-04-16

  Described herein are compounds that are estrogen receptor modulators. Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such estrogen receptor modulators, alone and in combination with other compounds, for treating diseases or conditions that are mediated or dependent upon estrogen receptors.

  本文描述了一些雌激素受体调节剂化合物。还描述了包括上述化合物的制药组合物和药物，以及使用这些雌激素受体调节剂，单独或与其他化合物联合治疗介导或依赖于雌激素受体的疾病或病情的方法。
• Chirality‐Driven Self‐Assembly of Discrete, Homochiral Fe ^II ₂ L ₃ Cages
  作者：Bin Sun、Eva J. Meeus、Felix J. de Zwart、Eduard O. Bobylev、Tiddo J. Mooibroek、Simon Mathew、Joost N. H. Reek

  DOI：10.1002/chem.202203900

  日期：——

  AbstractCoordination chemistry is a powerful method to synthesize supramolecular cages with distinct features that suit specific applications. This work demonstrates the synthesis of discrete, homochiral FeII2L3 cages via chirality‐driven self‐assembly. Specifically, the installation of chirality – at both the vertices and ligand backbones – allows the formation of discrete, homochiral FeII2L3 cages of different sizes via stereochemical control of the iron(II) centers. We observed that larger cages require multiple chiral centra (chiral ligands and vertices). In contrast, the formation of smaller cages is stereoselective with solely chiral ligands. The latter cages can also be formed from two chiral subcomponents, but only when they have matching chirality. Single‐crystal X‐ray diffraction of these smaller FeII2L3 cages revealed several non‐covalent interactions as a driving force for narcissistic chiral self‐sorting. This expected behavior was confirmed utilizing the shorter ligands in racemic form, yielding discrete, homochiral FeII2L3 cages formed in enantiomeric pairs.
• 페닐 피리딘 단위를 포함하는 중합체
  申请人：General Electric Company 제너럴 일렉트릭 캄파니(519980780582)

  公开号：KR101537429B1

  公开（公告）日：2015-07-16

  본 발명은 하기 화학식 II의 구조 단위를 포함하는 중합체에 관한 것이다:[화학식 II] 상기 식에서,R1, R2, R3, R4, R5, R6 및 R7은 각각의 경우 독립적으로 C1 내지 C20 지방족 라디칼, C3 내지 C20 방향족 라디칼 또는 C3 내지 C20 지환족 라디칼이고;a, b, d, e 및 f는 각각의 경우 독립적으로 0, 또는 1 내지 4 범위의 정수이고;c 및 g는 각각의 경우 독립적으로 0, 또는 1 내지 3 범위의 정수이다.다른 양태에서, 본 발명은 상기 중합체의 제조를 위한 단량체에 관한 것이다. 또 다른 양태에서, 본 발명은 화학식 II의 구조 단위를 포함하는 중합체를 포함하는 광전자 소자에 관한 것이다.

  这段文字是关于包含化学式II结构单元的聚合物的内容：[化学式II] 在上述公式中，R1、R2、R3、R4、R5、R6和R7分别独立地是C1到C20脂肪基、C3到C20芳香基或C3到C20环烷基基团；a、b、d、e和f分别独立地是0或者1到4之间的整数；c和g分别独立地是0或者1到3之间的整数。在另一方面，该发明涉及用于制备上述聚合物的单体。在另一方面，该发明涉及包含化学式II结构单元的聚合物的光电子器件。
• Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M₈L₁₂, M₁₀L₁₅, and M₁₂L₁₈ Prisms
  作者：Marion Kieffer、Ben S. Pilgrim、Tanya K. Ronson、Derrick A. Roberts、Mina Aleksanyan、Jonathan R. Nitschke

  DOI：10.1021/jacs.6b02445

  日期：2016.6.1

  perfluorophenylene substituents at their 5-positions resulted in stereoselective formation of the iron(II) complexes from these subcomponents. Only mer vertices were observed, as opposed to the statistical fac/mer mixture otherwise generated. This mer-selective self-assembly could be used to prepare tetragonal (M8L12), pentagonal (M10L15), and hexagonal (M12L18) prisms by taking advantage of the subtle selectivities

  与较小和较高对称性多面体常见的面部 (fac) 协调相反，经向 (mer) 协调促进了更大和较低对称性棱柱金属超分子结构的产生。在这里，我们描述了选择性形成大型金属超分子棱柱的一般途径，这些棱柱仅包含 mer 配位的金属顶点。使用在其 5 位含有全氟亚苯基取代基的 2-甲酰基吡啶亚组分导致这些亚组分立体选择性地形成铁 (II) 配合物。仅观察到 mer 顶点，与以其他方式生成的统计 fac/mer 混合物相反。这种 mer 选择性自组装可用于制备四方 (M8L12)、五角 (M10L15)、和六边形 (M12L18) 棱镜通过利用所采用的不同苯胺和反离子所施加的微妙选择性。四棱柱和五棱柱之间的平衡遵循线性自由能关系，结构之间的比率与结合的苯胺的哈米特 σp(+) 参数相关。氟化和非氟化配体分别生成棱柱和四面体的对比偏好在能量上被量化，每个“不正确的配体”并入任一结构的失稳线性增加。与结合的苯胺的