1-环戊烯硼酸频哪醇酯 | 287944-10-9

• 物质功能分类: 化学试剂 - 有机试剂 - 磺酸/亚磺酸
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硼酸衍生物
• 中文名称: 1-环戊烯硼酸频哪醇酯
• 中文别名: 环戊烯-1-基硼酸频呐醇酯；环戊烯硼酸片呐醇酯；2-(1-环戊基)-4,4,5,5-四甲基-1,3,2-二氧硼烷
• 英文名称: 2-cyclopent-1-enyl-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
• 英文别名: 2-(cyclopent-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane；2-(cyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane；2-cyclopentenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane；1-cyclopentenylboronic acid pinacol ester；1-cyclopenteneboronic acid pinacol ester；2-(1-cyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane；cyclopenten-1-ylboronic acid pinacol ester；cyclopentene-1-boronic acid pinacol ester
• CAS: 287944-10-9
• 化学式: C₁₁H₁₉BO₂
• mdl: MFCD08669391
• 分子量: 194.082
• InChiKey: JFTZVYKESKQING-UHFFFAOYSA-N

物化性质

• 沸点：
  210.0±33.0 °C(Predicted)
• 密度：
  0.96±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.82
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.818
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• TSCA：
  No
• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储条件：2～8℃，干燥，密封。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Cyclopenten-1-ylboronic acid, pinacol ester
Synonyms: 2-Cyclopentenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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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: Cyclopenten-1-ylboronic acid, pinacol ester
CAS number: 287944-10-9

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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, under −20◦C.
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: C11H19BO2
Molecular weight: 194.1

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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：

  1-环戊烯硼酸频哪醇酯 在 四(三苯基膦)钯 、 palladium 10% on activated carbon 、 氢气 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 甲醇 、 水 为溶剂， 反应 3.0h， 生成 (4-环戊基苯基)甲醇
  参考文献：
  名称：

  COMPOUNDS AND METHOD OF USE

  摘要：

  本公开涉及具有诱导铁死亡活性的化合物，一种使用这些化合物治疗癌症患者的方法，以及与第二种治疗药物的联合治疗。

  公开号：

  US20190263802A1
• 作为产物：
  描述：

  环戊酮 在 2-氯吡啶 、 chromium chloride 、 magnesium 、 4,4'-二叔丁基-2,2'-二吡啶 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 18.17h， 生成 1-环戊烯硼酸频哪醇酯
  参考文献：
  名称：

  三氟甲磺酸乙烯酯和未活化芳基羧酸酯与频哪醇硼烷的铬催化选择性硼化

  摘要：

  使用频哪醇硼烷对丰富的乙烯基三氟甲磺酸酯和未活化的芳基羧酸酯进行硼酸化是通过铬催化选择性形成乙烯基和芳基硼酸酯实现的。竞争性氢化还原或烯丙基硼化反应缓慢或不发生，因此为将硼酸盐结合到烯烃和芳烃中提供了一种选择性策略。机理研究表明，σ键复分解或氧化加成机制可能被认为是酯支架断裂的原因。

  DOI：

  10.1021/acs.orglett.2c01015

文献信息

• CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE
  申请人：Genentech, Inc.

  公开号：US20140088117A1

  公开（公告）日：2014-03-27

  Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds of Formula I, including stereoisomers, geometric isomers, tautomers, and pharmaceutically acceptable salts thereof, wherein R 2 is a cyclic ether and X is thiazolyl, pyrazinyl, pyridinyl, or pyrimidinyl, are useful for inhibiting Pim kinase, and for treating disorders such as cancer mediated by Pim kinase. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  公式I的环醚吡唑-4-基-杂环基-羧酰胺化合物，包括立体异构体、几何异构体、互变异构体和其药学上可接受的盐，其中R2为环醚，X为噻唑基、吡啶基、吡啶基或嘧啶基，可用于抑制Pim激酶，并用于治疗由Pim激酶介导的癌症等疾病。公开了使用公式I化合物进行体外、体内和体内诊断、预防或治疗哺乳动物细胞中的这类疾病或相关病理条件的方法。
• [EN] DIHYDROQUINOLIZINONES AS ANTIVIRALS<br/>[FR] DIHYDROQUINOLIZINONES À UTILISER EN TANT QU'ANTIVIRAUX
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2018154466A1

  公开（公告）日：2018-08-30

  Compounds, specifically hepatitis B virus and/or hepatitis D virus inhibitors, more specifically compounds that inhibit HBe antigen and HBs antigen in a subject, for the treatment of viral infections, and methods of preparing and using such compounds. Formula (I):

  化合物，具体来说是乙型肝炎病毒和/或丙型肝炎病毒抑制剂，更具体地说是抑制受试者体内HBe抗原和HBs抗原的化合物，用于治疗病毒感染，并且涉及制备和使用这类化合物的方法。化学式（I）:
• Ruthenium-Catalyzed Oxidative Cross-Coupling Reaction of Activated Olefins with Vinyl Boronates for the Synthesis of (<i>E</i>,<i>E</i>)-1,3-Dienes
  作者：Dattatraya H. Dethe、Nagabhushana C. Beeralingappa、Amar Uike

  DOI：10.1021/acs.joc.0c02823

  日期：2021.2.19

  An oxidative cross-coupling reaction between activated olefins and vinyl boronate derivatives has been developed for the highly stereoselective construction of synthetically useful (E,E)-1,3-dienes. The highlight of this reaction is that exclusive stereoselectivity (only E,E-isomer) was achieved from a base-free, ligand-free, and mild catalytic condition with a less expensive [RuCl2(p-cymene)]2 catalyst

  已经开发出活化烯烃和乙烯基硼酸酯衍生物之间的氧化交叉偶联反应，以用于合成有用的（E，E）-1，3-二烯的高度立体选择性的结构。该反应的亮点在于，使用便宜的[RuCl 2（p- Cymene）] 2催化剂，可从无碱，无配体和温和的催化条件下获得独特的立体选择性（仅E，E-异构体）。
• [EN] TAM KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASES TAM
  申请人：SYROS PHARMACEUTICALS INC

  公开号：WO2018191587A1

  公开（公告）日：2018-10-18

  Described herein are compounds, methods of making such compounds, compositions (e.g., pharmaceutical compositions/medicaments) that include such compounds, and methods of using such compounds to treat diseases, such as cancer.

  本文描述了化合物，制备这种化合物的方法，包括这种化合物的组合物（例如，包含这种化合物的药物组合物/药物），以及使用这种化合物治疗疾病（如癌症）的方法。
• [EN] IMIDAZO [1, 2 - B] PYRIDAZINE - BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF<br/>[FR] COMPOSÉS À BASE D'IMIDAZO [1, 2-B] PYRIDAZINE, COMPOSITIONS LES COMPRENANT ET UTILISATIONS DE CEUX-CI
  申请人：LEXICON PHARMACEUTICALS INC

  公开号：WO2013134219A1

  公开（公告）日：2013-09-12

  Imidazo[1,2-b]pyridazine-based compounds of the formula (I): are disclosed, wherein R1, R2 and R3 are defined herein. Compositions comprising the compounds and methods of their use to treat, manage and/or prevent diseases and disorders mediated by mediated by adaptor associated kinase 1 activity are also disclosed.

  基于咪唑并[1,2-b]吡啶嗪的化合物的公式（I）被披露，其中R1、R2和R3在此处被定义。还披露了包含这些化合物的组合物以及它们用于治疗、管理和/或预防由适配器相关激酶1活性介导的疾病和紊乱的方法。