6-溴吡啶-3-硼酸频哪醇酯 | 214360-62-0

• 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-溴吡啶-3-硼酸频哪醇酯
• 中文别名: 2-溴-5-(4,4,5,5-四甲基-1,3,2-二杂氧戊硼烷-2-基)吡啶；2-溴-5-(4.4.5.5-四甲基-1.3.2-二杂氧戊硼烷2-基)吡；2-溴吡啶-5-硼酸频哪醇酯；2-溴吡啶-5-硼酸频哪酯
• 英文名称: 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• CAS: 214360-62-0
• 化学式: C₁₁H₁₅BBrNO₂
• mdl: MFCD03412794
• 分子量: 283.961
• InChiKey: MEGBELYYUPCOIQ-UHFFFAOYSA-N

物化性质

• 沸点：
  345.1±27.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)
• 稳定性/保质期：
  避氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  3.78
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.545
• 拓扑面积：
  31.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  保存方法：密闭于阴凉、通风干燥处。

SDS

Name:	2-Bromo-5-(4 4 5 5-tetramethyl-1 3 2-dioxaborolan-2-yl)pyridine Material Safety Data Sheet
Synonym:	None Known
CAS:	214360-62-0

Section 1 - Chemical Product MSDS Name:2-Bromo-5-(4 4 5 5-tetramethyl-1 3 2-dioxaborolan-2-yl)pyridine Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
214360-62-0	2-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-d	97+%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 214360-62-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Off white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 94 - 96 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H15BBrNO2
Molecular Weight: 283.96

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Acid chlorides, strong bases, strong acids, strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen bromide, oxides of boron, borane, bromine.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 214360-62-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 214360-62-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 214360-62-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 214360-62-0 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  6-溴吡啶-3-硼酸频哪醇酯 在 四(三苯基膦)钯 、 水 、 双氧水 、 三苯基膦 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 36.0h， 生成 6-[6-(5-Hydroxypyridin-2-yl)pyridin-2-yl]pyridin-3-ol
  参考文献：
  名称：

  使用正交金属模板和环合易位，线性合成[4]碳酸酯一锅。

  摘要：

  在机械互锁分子领域，有效合成具有多个机械键的定义明确的线性低聚儿茶酸仍然是一项艰巨的挑战。在这里，描述了一种一锅法合成策略，该方法使用正交化的金属模板来制备线性[4]链状酸酯，该金属环由大环前体和一个封闭的基于菲咯啉的分子环组成，大环前体由柔性乙二醇连接基隔开，三环吡啶和菲咯啉配体组成。金属络合后同时进行两个闭环易位反应导致形成三个机械键。以拓扑非对映体的混合物的形式，以55％的收率分离线性[4] catenate产物。中间金属配合物和相应的互锁产物（有或没有金属）的特征是核磁共振，质谱，凝胶渗透色谱和紫外可见吸收光谱。我们设想，这种一般的合成策略可能为合成具有精确分子量和四个或更多互锁分子环的高阶线性低聚酸酯/儿茶素铺平道路。

  DOI：

  10.1021/acs.inorgchem.0c00735
• 作为产物：
  描述：

  2-氨基-5-碘吡啶 在 正丁基锂 、 硼酸三异丙酯 、 氢溴酸 、 溴 、 sodium nitrite 作用下， 以 乙醚 、 水 为溶剂， 生成 6-溴吡啶-3-硼酸频哪醇酯
  参考文献：
  名称：

  新型卤代吡啶基硼酸和酯的合成。第1部分：6-卤代吡啶-3-基硼酸和酯

  摘要：

  本文介绍的新的6-卤代吡啶-3-基-硼酸和酯的合成和分离的一般方法2 - 5。制备这些化合物时考虑到了从2，5-二卤代吡啶开始的与三烷基硼酸酯的区域选择性卤素金属交换。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一系列的芳基卤化物进行了Pd催化的偶联，并授权了一种制备新吡啶库的策略。

  DOI：

  10.1016/s0040-4020(02)00152-7

文献信息

• Chemoselective Rhodium-Catalyzed Borylation of Bromoiodoarenes Under Mild Conditions
  作者：Anthony J. Varni、Michael V. Bautista、Kevin J.T. Noonan

  DOI：10.1021/acs.joc.0c00178

  日期：2020.5.15

  developed for the preparation of aryl boronate esters. The reaction proceeds under mild conditions with excellent selectivity for C-I bonds in bromoiodoarenes and exhibits broad functional group tolerance. This procedure can act as a complementary approach toward bifunctional arenes along with other metal-catalyzed borylations. Additionally, the reaction's utility in the preparation of monomers for metal-catalyzed

  已经开发了化学选择性的铑催化的硼化来制备芳基硼酸酯。该反应在温和的条件下进行，对溴代碘代芳烃中的CI键具有出色的选择性，并且具有宽泛的官能团耐受性。该方法可以作为双官能团与其他金属催化的硼烷基化反应的补充方法。另外，证明了该反应在制备用于金属催化的交叉偶联聚合的单体中的效用。
• [EN] GCN2 MODULATOR COMPOUNDS<br/>[FR] COMPOSÉS MODULATEURS DE GCN2
  申请人：BLACK BELT TX LTD

  公开号：WO2021165346A1

  公开（公告）日：2021-08-26

  The disclosures herein relate to novel compounds of Formula (1): or a salt thereof, wherein X, Y, R1, R2, R3, R4 and R5 are defined herein, and their use in treating, preventing, ameliorating, controlling or reducing the risk of disorders associated with General Control Nondepressible 2 (GCN2).

  本公开涉及式（1）的新化合物或其盐，其中X、Y、R1、R2、R3、R4和R5如本文所定义，并其在治疗、预防、改善、控制或减少与广泛控制不可抑制2（GCN2）相关的疾病风险中的用途。
• [EN] UREA DERIVATIVES AS INHIBITORS OF ASK1<br/>[FR] DÉRIVÉS D'URÉE UTILISÉS EN TANT QU'INHIBITEURS D'ASK1
  申请人：HEPAGENE THERAPEUTICS INC

  公开号：WO2019099307A1

  公开（公告）日：2019-05-23

  The present technology is directed to compounds, compositions, and methods related to inhibition of ASK1. In particular, the present compounds (e.g., compounds of Formula I as defined herein) and compositions may be used to treat ASK1-mediated disorders and conditions, including, e.g., fibrotic diseases and acute and chronic liver diseases, among others.

  目前的技术是针对抑制ASK1的化合物、组合物和方法。具体来说，目前的化合物（例如，本文所定义的Formula I的化合物）和组合物可用于治疗ASK1介导的疾病和病况，包括纤维化疾病以及急性和慢性肝病等。
• INHIBITOR CONTAINING BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF
  申请人：Shanghai Hansoh Biomedical Co., Ltd.

  公开号：EP3971187A1

  公开（公告）日：2022-03-23

  Provided are an inhibitor containing a bicyclic derivative, a preparation method therefor and the use thereof. In particular, involved are a compound shown by general formula (I), a preparation method therefor, a pharmaceutical composition thereof, and the use thereof as an RET inhibitor in the treatment of cancers, inflammations, chronic liver diseases, diabetes, cardiovascular diseases, AIDS, and other related diseases, wherein each substituent in general formula (I) has the same definition as that given in the description.

  提供一种含有双环衍生物的抑制剂，以及其制备方法和用途。具体涉及一种由通式（I）所示的化合物，其制备方法，其药物组合物，以及其作为RET抑制剂在治疗癌症、炎症、慢性肝病、糖尿病、心血管疾病、艾滋病和其他相关疾病中的用途，其中通式（I）中的每个取代基具有与描述中给出的相同定义。
• Synthesis of AzaaromaticBorane Intramolecular Complexes by Palladium-Catalyzed Reaction of Azaaromatic Halides with Alkynyl(triaryl)borates
  作者：Naoki Ishida、Mizuna Narumi、Masahiro Murakami

  DOI：10.1002/hlca.201200554

  日期：2012.12

  A diversity‐oriented method to synthesize (E)‐azastilbenes having an intramolecular BN coordination bond from alkynyl(triaryl)borates and azaaromatic halides is described. The obtained π‐conjugated compounds exhibit an intense blue fluorescence and a high electron affinity, indicating their potential to be used as n‐type light‐emitting materials.

  一个面向分集的方法来合成（É）-azastilbenes具有分子内乙从炔基（三芳基）硼酸盐和azaaromatic卤化物Ñ配位键进行说明。所获得的π共轭化合物表现出强烈的蓝色荧光和高电子亲和力，表明它们具有用作n型发光材料的潜力。