2,4,6-三乙烯基环硼氧烷 | 92988-08-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 有机硼氧烷
• 中文名称: 2,4,6-三乙烯基环硼氧烷
• 中文别名: 2,4,6-三乙烯基-1,3,5,2,4,6-三氧杂三硼杂环己烷
• 英文名称: trivinylboroxin
• 英文别名: 2,4,6-trivinyl-1,3,5,2,4,6-trioxatriborinane；2,4,6-trivinylcyclotriboroxane；trivinylcyclotriboroxane；vinyl boronic anhydride；2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane
• CAS: 92988-08-4
• 化学式: C₆H₉B₃O₃
• mdl: MFCD08061198
• 分子量: 161.569
• InChiKey: WBRSYBLNSTYNPP-UHFFFAOYSA-N

物化性质

• 沸点：
  114 °C
• 密度：
  0.89
• 闪点：
  23 °C

计算性质

• 辛醇/水分配系数(LogP)：
  5.71
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36
• 海关编码：
  2934999090
• 安全说明：
  S26

SDS

Name:	2 4 6-Trivinylcyclotriboroxane-pyridine complex Material Safety Data Sheet
Synonym:	O'Shea's reagen
CAS:	92988-08-4

Section 1 - Chemical Product MSDS Name:2 4 6-Trivinylcyclotriboroxane-pyridine complex Material Safety Data Sheet
Synonym:O'Shea's reagen

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
92988-08-4	2,4,6-Trivinylcyclotriboroxane-pyridin		unlisted

Hazard Symbols: XI
Risk Phrases: 36/38

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

---

Section 4 - FIRST AID MEASURES
Eyes: 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.
Ingestion:
Get medical aid. 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.

---

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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

---

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.

---

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

---

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# 92988-08-4: Personal Protective Equipment Eyes: Not available.
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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Not available.
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C6H9B3O3.C5H5N
Molecular Weight: 240.67

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, boron oxides.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 92988-08-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,4,6-Trivinylcyclotriboroxane-pyridine complex - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

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

---

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/38 Irritating to eyes and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 92988-08-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 92988-08-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 92988-08-4 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-苯基吡啶 、 2,4,6-三乙烯基环硼氧烷 在 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 copper diacetate 、 对苯醌 作用下， 以 乙腈 为溶剂， 反应 15.0h， 以71%的产率得到2-(2-vinylphenyl)pyridine
  参考文献：
  名称：

  将 C-H 乙烯基化与可切换的 6π-电环化合并用于发散杂环合成

  摘要：

  含吡啶的多杂环具有独特的生物学特性、有趣的电化学和光学特性，因此被广泛用作药物、功能材料和光催化剂。在这里，我们通过将 Rh 催化的 CH 乙烯基化与两个可切换的电环化（包括 aza-6π- 和全碳 6π-电环化）合并来描述统一的两步策略，以快速和发散地获得二氢吡啶并异喹啉鎓和二氢苯并喹啉。通过计算，在适当的“HCl”源存在下，在热条件或光化学条件下，氮杂电环化的高选择性是由于前沿轨道的有利动力学和对称性造成的。

  DOI：

  10.1021/jacs.0c07680
• 作为产物：
  描述：

  乙烯基硼酸二丁酯 在 吩噻嗪 、 水 作用下， 生成 2,4,6-三乙烯基环硼氧烷
  参考文献：
  名称：

  光学活性的硼酸酯的制备取代的Δ 2 -isoxazolines

  摘要：

  在本文中，我们报道我们最近在氧化腈环加成的光学活性vinylboronic酯的面积的结果，得到的光学活性的硼酸酯取代的Δ 2 -isoxazolines。在这些研究中，对许多旋光性二醇进行了研究，发现TADDOL具有最佳的非对映选择性。在这些反应中获得的非对映异构体混合物可以很容易地通过形成二乙醇胺-硼配合物进行纯化，并进行重结晶，从而获得纯的对映异构体。

  DOI：

  10.1016/s0022-328x(99)00055-8
• 作为试剂：
  描述：

  N-(5-bromo-4-chloropyridin-2-yl)acetamide 、 吡啶 、 disodium;carbonate 在 四(三苯基膦)钯 2,4,6-三乙烯基环硼氧烷 、 氮 、 乙酸乙酯 、 水 、 Brine 、 Sodium sulfate-III 、 正己烷 作用下， 以 水 、 甲苯 、 乙醇 为溶剂， 反应 14.08h， 以to yield N-(4-chloro-5-vinylpyridin-2-yl)acetamide (5.92 g, 27.7 mmol, 99% yield) as yellow solid的产率得到N-(4-chloro-5-vinylpyridin-2-yl)acetamide
  参考文献：
  名称：

  Aryl Lactam Kinase Inhibitors

  摘要：

  本公开涉及一般用于抑制适配器相关激酶1（AAK1）的化合物、包含此类化合物的组合物以及抑制AAK1的方法。

  公开号：

  US20140038999A1

文献信息

• [EN] PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS<br/>[FR] COMPOSÉS DE PYRIDAZINONE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE LA DAAO
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2013027000A1

  公开（公告）日：2013-02-28

  The present invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein R1 and R2 are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了式（I）的化合物及其药用盐，其中R1和R2如规范中定义，其制备方法，含有它们的药物组合物以及它们在治疗中的用途。
• NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES
  申请人：Bolli Martin

  公开号：US20110046170A1

  公开（公告）日：2011-02-24

  The invention relates to novel pyrimidine-pyridine derivatives, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents.

  本发明涉及新颖的嘧啶-吡啶衍生物、其制备方法及其作为药理活性化合物的应用。这些化合物特别作为免疫调节剂发挥作用。
• 7-AZAINDOLE INHIBITORS OF CRAC
  申请人：Hoffmann-La Roche Inc.

  公开号：US20130158049A1

  公开（公告）日：2013-06-20

  Disclosed are compounds of Formula (I): useful for treatment of autoimmune and inflammatory diseases associated with IL-2 inhibition via modulation of calcium release-activated calcium (CRAC) channels. Also disclosed are methods of making and using the compounds for treatment of diseases associated with CRAC channels.

  公开了公式(I)的化合物： 用于治疗与IL-2抑制有关的自身免疫和炎症性疾病，通过调节钙释放激活钙(CRAC)通道。还公开了制造和使用这些化合物用于治疗与CRAC通道相关的疾病的方法。
• [EN] 5-SULFAMOYL-2-HYDROXYBENZAMIDE DERIVATIVES<br/>[FR] DÉRIVÉS DE 5-SULFAMOYL-2-HYDROXYBENZAMIDE
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2017153952A1

  公开（公告）日：2017-09-14

  The invention is directed to substituted salicylamide derivatives. Specifically, the invention is directed to compounds according to Formula (I): wherein R, R1 and R2 are as defined herein, or a pharmaceutically acceptable salt thereof. The compounds of the invention are inhibitors of CD73 and can be useful in the treatment of cancer, pre-cancerous syndromes and diseases associated with CD73 inhibition, such as AIDS, the treatment of HIV, autoimmune diseases, infections, atherosclerosis, and ischemia–reperfusion injury. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting CD73 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及取代水杨酰胺衍生物。具体而言，本发明涉及根据公式(I)的化合物：其中R、R1和R2如本文所述，或其药用可接受的盐。本发明的化合物是CD73的抑制剂，可用于治疗癌症、前癌症综合症以及与CD73抑制相关的疾病，例如艾滋病、治疗HIV、自身免疫疾病、感染、动脉粥样硬化和缺血再灌注损伤。因此，本发明进一步涉及包含本发明化合物的药物组合物。本发明还进一步涉及使用本发明化合物或包含本发明化合物的药物组合物来抑制CD73活性和治疗与之相关的疾病的方法。
• [EN] ARYL AMIDE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE L'ARYLAMIDE KINASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015006100A1

  公开（公告）日：2015-01-15

  The present disclosure is generally directed to compounds which can inhibit AAK1 (adaptor associated kinase 1), compositions comprising such compounds, and methods for inhibiting AAK1.

  本公开涉及一般可抑制AAK1（适配器相关激酶1）的化合物，包括这些化合物的组合物，以及抑制AAK1的方法。