2-甲基呋喃-3-硼酸频那醇酯 | 864776-02-3

• 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: 2-甲基呋喃-3-硼酸频那醇酯
• 英文名称: 4,4,5,5-tetramethyl-2-(2-methylfuran-3-yl)-1,3,2-dioxaborolane
• CAS: 864776-02-3
• 化学式: C₁₁H₁₇BO₃
• mdl: MFCD09879905
• 分子量: 208.065
• InChiKey: JMLBPHNESOKSEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.636
• 拓扑面积：
  31.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Methylfuran-3-boronic acid, pinacol ester
Synonyms: 4,4,5,5-Tetramethyl-2-(2-methyl-3-furyl)-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: 2-Methylfuran-3-boronic acid, pinacol ester
CAS number: 864776-02-3

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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: C11H17BO3
Molecular weight: 208.1

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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：

  2-甲基呋喃-3-硼酸频那醇酯 在 四(三苯基膦)钯 N-溴代丁二酰亚胺(NBS) 、 sodium carbonate 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 乙醇 、 氯仿 、 水 为溶剂， 反应 35.0h， 生成 cis-2,6-dimethyl-4-[4-(2-methyl-3-furanyl)-5-(3-methyl-4-pyridinyl)-2-pyrimidinyl]morpholine hydrochloride
  参考文献：
  名称：

  [EN] ALPHA-7 NICOTINIC RECEPTOR MODULATORS FOR THE TREATMENT OF PAIN, A PSYCHOTIC DISORDER, COGNITIVE IMPAIRMENT OR ALZHEIMER'S DISEASE
  [FR] MODULATEURS DU RÉCEPTEUR ALPHA-7 NICOTINIQUE POUR LE TRAITEMENT DE LA DOULEUR, D'UN TROUBLE PSYCHOTIQUE, D'UN DÉFICIT COGNITIF OU DE LA MALADIE D'ALZHEIMER

  摘要：

  已披露了调节α7尼古丁乙酰胆碱受体（nAChR）的化合物，其化学式为（I），其中变量如描述和声明中所指定。

  公开号：

  WO2012055942A1
• 作为产物：
  描述：

  异丙醇频哪醇硼酸酯 、 3-溴-2-甲基呋喃 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.92h， 生成 2-甲基呋喃-3-硼酸频那醇酯
  参考文献：
  名称：

  [EN] INHIBITORS OF AKT ACTIVITY
  [FR] INHIBITEURS D'ACTIVITÉ AKT

  摘要：

  已发明了新型替代吡啶化合物，这些化合物被用作蛋白激酶B活性的抑制剂，并在癌症和关节炎的治疗中使用。

  公开号：

  WO2009032652A1

文献信息

• [EN] MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS<br/>[FR] INHIBITEURS DE MTH1 DESTINÉS AU TRAITEMENT DES ÉTATS INFLAMMATOIRES ET AUTO-IMMUNS
  申请人：THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING

  公开号：WO2015187089A1

  公开（公告）日：2015-12-10

  A compound of formula (I), or a pharmaceutically acceptable salt thereof, for use in the treatment of autoimmune diseases and inflammatory conditions.

  化合物的化学式（I），或其药学上可接受的盐，用于治疗自身免疫性疾病和炎症性疾病。
• [EN] NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES<br/>[FR] COMPOSÉS TRICYCLIQUES INNOVANTS SERVANT D'INHIBITEURS D'ENZYMES IDH MUTANTES
  申请人：MERCK SHARP & DOHME

  公开号：WO2016089797A1

  公开（公告）日：2016-06-09

  The present invention is directed to tricyclic compounds of formula (I) which are inhibitors of one or more mutant IDH enzymes: (I). The present invention is also directed to uses of the tricyclic compounds described herein in the potential treatment or prevention of cancers in which one or more mutant IDH enzymes are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such cancers.

  本发明涉及式(I)的三环化合物，该化合物是野生型异柠檬酸脱氢酶（IDH）抑制剂：(I)。本发明还涉及将此处描述的三环化合物用于潜在治疗或预防涉及一个或多个突变IDH酶的癌症。本发明还涉及包含这些化合物的组合物。本发明还涉及将这些组合物用于潜在预防或治疗此类癌症。
• [EN] INHIBITORS OF AKT ACTIVITY<br/>[FR] INHIBITEURS D'ACTIVITÉ AKT
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009032652A1

  公开（公告）日：2009-03-12

  Invented are novel substituted pyridine compounds, the use of such compounds as inhibitors of protein kinase B activity and in the treatment of cancer and arthritis.

  已发明了新型替代吡啶化合物，这些化合物被用作蛋白激酶B活性的抑制剂，并在癌症和关节炎的治疗中使用。
• [EN] INHIBITORS OF AKT ACTIVITY<br/>[FR] INHIBITEURS DE L'ACTIVITÉ D'AKT
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009032653A1

  公开（公告）日：2009-03-12

  Invented are novel substituted pyridine compounds, the use of such compounds as inhibitors of protein kinase B activity and in the treatment of cancer and arthritis.

  本发明涉及一种新型取代吡啶化合物，其作为蛋白激酶B活性抑制剂和治疗癌症和关节炎的用途。
• Isoquinoline Compounds And Methods For Treating HIV
  申请人：De La Rosa Martha Alicia

  公开号：US20130289027A1

  公开（公告）日：2013-10-31

  Provided are compounds and pharmaceutically acceptable salts thereof, their pharmaceutical compositions, their methods of preparation, and their use for treating viral infections mediated by a member of the retrovirus family of viruses such as the Human Immunodeficiency Virus (HIV).

  提供化合物及其药物可接受的盐，它们的药物组合物，它们的制备方法以及它们用于治疗由逆转录病毒家族成员介导的病毒感染，例如人类免疫缺陷病毒（HIV）的用途。