(环己基氨甲基)三氟硼酸钾 | 888711-52-2

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟硼酸钾系列
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: (环己基氨甲基)三氟硼酸钾
• 英文名称: potassium N-cyclohexyl-aminomethyltrifluoroborate
• 英文别名: potassium cyclohexylaminomethyltrifluoroborate；Potassium ((cyclohexylamino)methyl)trifluoroborate；potassium;(cyclohexylamino)methyl-trifluoroboranuide
• CAS: 888711-52-2
• 化学式: C₇H₁₄BF₃N*K
• 分子量: 219.099
• InChiKey: GYUWPHIATXXXJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P362,P403+P233,P501
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Potassium ((cyclohexylamino)methyl)trifluoroborate
Synonyms:

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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: Potassium ((cyclohexylamino)methyl)trifluoroborate
CAS number: 888711-52-2

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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.
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: C7H14BF3KN
Molecular weight: 219.1

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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, nitrogen oxides, hydrogen fluoride.

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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：

  (环己基氨甲基)三氟硼酸钾 、 6-氯-9-(苯基甲基)-9H-嘌呤 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 水 、 乙腈 为溶剂， 反应 0.08h， 以93%的产率得到9-benzyl-6-(N-cyclohexyl-N-methyl)amino-9H-purine
  参考文献：
  名称：

  卤嘌呤与芳基和烷基三氟硼酸酯的交叉偶联反应；修饰嘌呤合成的范围和局限性

  摘要：

  已经研究了使用钯催化的多种烷基-和芳基三氟硼酸酯与卤代扁桃酸酯的交叉偶联反应的范围和局限性。芳基和杂芳基三氟硼酸酯容易与6-氯嘌呤和8-溴代丁烯反应，以高收率得到相应的6-或8-芳基衍生物，而三氟硼酸烷基酯的反应性低得多，即使经过充分优化，也只能得到甲基和环丙基三氟硼酸酯。所需的烷基化嘌呤产率适中，而其他烷基，二烷基氨基甲基和乙氧基羰基乙基三氟硼酸酯则未发生任何反应。 嘌呤-交叉偶联反应-有机三氟硼酸盐-钯-膦配体

  DOI：

  10.1055/s-0028-1088038
• 作为产物：
  描述：

  (溴甲基)三氟硼酸钾 、 环己胺 以 neat (no solvent) 为溶剂， 反应 0.5h， 以54%的产率得到(环己基氨甲基)三氟硼酸钾
  参考文献：
  名称：

  光氧化还原催化化学修饰天然抗菌肽中的脱水氨基酸

  摘要：

  脱氢丙氨酸（Dha）和脱氢丁胺（Dhb）是在抗菌肽中经常发现的非常规氨基酸。这项工作提出了抗菌肽中Dha和Dhb的选择性修饰，这是通过在可见光的影响下有机硼酸盐的光催化活化来实现的。Ir（dF（CF 3）ppy）2（dtbbpy）PF 6用作水溶液中的光氧化还原催化剂，用于修饰巯基链霉菌素和乳链菌肽。温和的条件和对脱水残留物的高选择性表明，光氧化还原催化是修饰肽衍生天然产物的有前途的工具。

  DOI：

  10.1002/chem.201803144

文献信息

• Synthesis of Functionalized Organotrifluoroborates via Halomethyltrifluoroborates
  作者：Gary A. Molander、Jungyeob Ham

  DOI：10.1021/ol060375a

  日期：2006.5.1

  Potassium bromo- and iodomethyltrifluoroborates have been prepared via in situ reaction of n-BuLi with dibromo- and diiodomethane, respectively, in the presence of trialkyl borates, followed by treatment with KHF2. Moreover, a new synthetic method for the preparation of potassium organotrifluoroborates through nucleophilic substitution of the halide in these potassium halomethyltrifluoroborates is described.