6-氯吡啶-2-硼酸 | 652148-90-8

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 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: 6-氯吡啶-2-硼酸
• 英文名称: (6-chloropyridin-2-yl)boronic acid
• 英文别名: 6-Chloropyridine-2-boronic acid
• CAS: 652148-90-8
• 化学式: C₅H₅BClNO₂
• mdl: MFCD08063028
• 分子量: 157.364
• InChiKey: GDJTYQJAQCXFFU-UHFFFAOYSA-N

物化性质

• 沸点：
  355℃
• 密度：
  1.41
• 闪点：
  169℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.92
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  53.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  -20°C，惰性气体

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 6-Chloropyridine-2-boronic acid
Synonyms: 6-Chloropyridin-2-ylboronic acid

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 6-Chloropyridine-2-boronic acid
CAS number: 652148-90-8

---

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, under −20◦C.
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: C5H5BClNO2
Molecular weight: 157.4

---

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, hydrogen chloride.

---

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：

  6-氯吡啶-2-硼酸 在 四(三苯基膦)钯 potassium phosphate 、 三氟乙酸 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 22.0h， 生成 5-(3-(6-morpholinopyridin-2-yl)-1-tosyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-amine
  参考文献：
  名称：

  [EN] AZOLE COMPOUNDS AS PIM INHIBITORS
  [FR] COMPOSÉS D'AZOLE UTILISÉS EN TANT QU'INHIBITEURS DES PIM

  摘要：

  该发明涉及公式I和Ia的双环化合物及其盐。在某些实施例中，该发明涉及Pim-1和/或Pim-2和/或Pim-3蛋白激酶活性或酶功能的抑制剂或调节剂。在更进一步的实施例中，该发明涉及包含本文所披露的化合物的药物组合物，以及它们在预防和治疗Pim激酶相关疾病和病症，尤其是癌症中的用途。

  公开号：

  WO2012129338A1
• 作为产物：
  描述：

  2-溴-6-氯吡啶 在 正丁基锂 、 硼酸三异丙酯 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 以45%的产率得到6-氯吡啶-2-硼酸
  参考文献：
  名称：

  新型卤代吡啶基硼酸和酯的合成。第4部分：卤代吡啶-2-基硼酸和酯是稳定的晶体伴侣，可用于经典的铃木交叉偶联

  摘要：

  本文描述了用于合成一些方法和新颖的5或6-卤代吡啶-2-基-硼酸和酯隔离3，4，7。这些化合物是通过使用正丁基锂进行区域选择性的卤素-金属交换并随后从适当的二卤代吡啶开始用三异丙基硼酸酯淬灭来制备的。迄今为止研究的所有底物均提供单一的区域异构硼酸或酯产物。另外，已经发现这些化合物与芳基卤化物经历了Pd催化的偶联，并授权了一种制备新吡啶库的策略。

  DOI：

  10.1016/j.tet.2003.10.020

文献信息

• 新規ヘテロ芳香族アミド誘導体又はその塩からなる医薬
  申请人：科研製薬株式会社

  公开号：JP2021138690A

  公开（公告）日：2021-09-16

  【課題】疼痛を伴う疾患、掻痒を伴う疾患、自律神経関連疾患等の、電位依存性ナトリウムチャネル(Nav1.7)が関与する疾患を治療又は予防するのに有用な化合物又はその医薬組成物を提供する。【解決手段】下式で例示される化合物、及びそれを含む医薬組成物。【選択図】なし

  本文提供了一种用于治疗或预防与疼痛相关疾病、瘙痒相关疾病、自主神经相关疾病等的与电位依赖性钠通道（Nav1.7）有关的化合物或其药物组合物。具体化合物及其包含的药物组合物如下所示。【选择图】无
• [EN] ASYMMETRIC ADDITION REACTIONS<br/>[FR] RÉACTIONS D'ADDITION ASYMÉTRIQUES
  申请人：ISIS INNOVATION

  公开号：WO2016198836A1

  公开（公告）日：2016-12-15

  Processes of forming Csp2-Csp3 bonds at the allylic carbon of a cyclic allylic compound starting material are disclosed, in which a racemic mixture of a cyclic allylic compound having a leaving group attached to the allylic carbon is reacted with a compound having a nucleophilic carbon atom in the presence of a Rh(l), Pd(ll) or Cu(l) pre-catalyst and a chiral ligand. The reaction products containing the newly-formed Csp2-Csp3 bond are generated in high stereoisomeric excess, and may therefore serve as important organic building blocks in the preparation of new agrochemicals and pharmaceuticals.

  揭示了在环状烯丙基化合物起始物的烯丙基碳上形成Csp2-Csp3键的过程，其中将具有离去基团连接到烯丙基碳的环状烯丙基化合物的外消旋混合物与具有亲核碳原子的化合物在Rh(I)、Pd(II)或Cu(I)前催化剂和手性配体的存在下反应。生成含有新形成的Csp2-Csp3键的反应产物在高立体异构过量中产生，因此可以作为制备新的农药和药物中的重要有机构建块。
• 유기전기 소자용 화합물, 이를 이용한 유기전기소자 및 그 전자 장치
  申请人：DUK SAN NEOLUX CO., LTD. 덕산네오룩스 주식회사(120150011099) Corp. No ▼ 161511-0176036BRN ▼312-86-74729

  公开号：KR20170120233A

  公开（公告）日：2017-10-31

  본 발명은 소자의 높은 발광효율, 낮은 구동전압 및 수명을 향상시킬 수 있는 화합물, 이를 이용한 유기전기소자 및 그 전자장치를 제공한다.

  本发明提供了一种化合物，可提高器件的高发光效率、低驱动电压和寿命，以及利用该化合物的有机电子器件和电子设备。
• [EN] TRIAZOLONES DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE<br/>[FR] DÉRIVÉS DE TRIAZOLONES ET LEUR UTILISATION DANS LE TRAITEMENT, L'AMÉLIORATION OU LA PRÉVENTION D'UNE MALADIE VIRALE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2017046350A1

  公开（公告）日：2017-03-23

  The present invention relates to a compound having the general formula (I), optionally in the form of a pharmaceutically acceptable salt, solvate, polymorph, prodrug, tautomer, racemate, enantiomer, or diastereomer or mixture thereof, formula : (I) which is useful in treating, ameliorating or preventing a viral disease. Furthermore, specific combination therapies are disclosed.

  本发明涉及一种具有一般式(I)的化合物，可选择以药学上可接受的盐、溶剂合物、多晶形、前药、互变异构体、消旋体、对映体或二对映异构体或其混合物的形式存在，式：(I)，用于治疗、改善或预防病毒性疾病。此外，还公开了特定的联合疗法。
• 一种金刚烷螺芴衍生物及其有机电致发光器件
  申请人：长春海谱润斯科技股份有限公司

  公开号：CN113717122A

  公开（公告）日：2021-11-30

  本发明提供了一种金刚烷螺芴衍生物及其有机电致发光器件，属于有机电致发光技术领域。为了解决现阶段电子传输层材料电子注入和传输不平衡、空穴阻挡能力低，部分空穴穿过发光层与电子在发光层外进行复合，导致器件效率低和使用寿命短的问题，本发明提供了一种金刚烷螺芴衍生物用于有机电致发光器件中的空穴阻挡层或电子传输层，能够有效将空穴阻挡在发光层内，提高空穴和电子的复合率，从而提高器件的发光效率和使用寿命，同时该金刚烷螺芴衍生物具备良好的折射率，将其应用于有机电致发光器件中的覆盖层，能够有效将器件内部的光耦合出来，提高器件的出光效率。该金刚烷螺芴衍生物及其有机电致发光器件具有良好的应用效果和产业化前景。