2,2,6,6-四甲基-3,5-庚二酮酸钾 | 22441-14-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2,2,6,6-四甲基-3,5-庚二酮酸钾
• 中文别名: 2,2,6,6-四甲基-3,5-庚烷二酮钾；(2,2,6,6-四甲基-3,5-庚二酮)锂
• 英文名称: Potassium enolates of dipivaloylmethane
• 英文别名: potassium 2,2,6,6-tetramethylheptane-3,5-dionate；potassium 2,2,6,6-tetramethylheptane-3,5-dione；potassium dipivaloylmethanate；K(dipyvaloylmethanide)；Potassium 2,2,6,6-tetramethyl-3,5-dioxoheptan-4-ide；potassium;2,2,6,6-tetramethylheptane-3,5-dione
• CAS: 22441-14-1
• 化学式: C₁₁H₁₉O₂*K
• 分子量: 222.369
• InChiKey: DUVXSNNQWZFKOY-UHFFFAOYSA-N

物化性质

• 熔点：
  >150°C dec
• 沸点：
  150°C
• 稳定性/保质期：

计算性质

• 辛醇/水分配系数(LogP)：
  -0.57
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• TSCA：
  No
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2914190090
• 储存条件：
  <p><br></p>

SDS

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Section 1: Product Identification
Chemical Name: 2,2,6,6-Tetramethyl-3,5-heptanedionato potassium, min. 95%K(TMHD)
CAS Registry Number: 22441-14-1
Formula: KC11H19O2
EINECS Number: none
Chemical Family: metal beta-diketonate complexes
Synonym: Dipivaloylmethane, potassium complex

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 22441-14-1 100% no data no data

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Section 3: Hazards Identification
Emergency Overview: No particular hazard associated with this material. May be irritating to skin, eyes and respiratory tract.
Primary Routes of Exposure: Ingestion, inhalation
Eye Contact: May cause slight to mild irritation of the eyes.
Skin Contact: May cause slight to mild irritation of the skin.
Inhalation: May be irritating to the nose, mucous membranes and respiratory tract.
Ingestion: No specific information is available on the physiological effects of ingestion.
Acute Health Affects: May be irritating to skin, eyes and respiratory tract.
Chronic Health Affects: No information available on long-term chronic effects.
NTP: No
IARC: No
OSHA: No

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SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with soap and water. Remove contaminated clothes if necessary. Seek medical
Skin Exposure:
assistance if irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Ingestion: Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious).

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SECTION 5: Fire Fighting Measures
Flash Point: not applicable
Autoignition Temperature: none
Explosion Limits: none
Extinguishing Medium: carbon dioxide, dry powder or foam
If involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure self-contained
Special Fire Fighting Procedures:
breathing apparatus and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit toxic organic fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

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SECTION 6: Accidental Release Measures
Spill and Leak Procedures: Small spills can be mixed with vermiculite or sodium carbonate and swept up.

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SECTION 7: Handling and Storage
Handling and Storage: Store in a sealed container. Keep away from heat and moisture.

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SECTION 8: Exposure Controls and Personal Protection
Eye Protection: Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection: Wear appropriate chemical resistant gloves and protective clothing.
Ventilation: Material may form a fine dust. If possible, handle the material in an efficient fume hood.
If in form of fine dust and ventilation is not available a respirator should be worn. The use of respirators
Respirator:
requires a Respirator Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: Material may form a fine dust. If possible, handle the material in an efficient fume hood.
Additional Protection: No additional protection required.

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SECTION 9: Physical and Chemical Properties
Color and Form: light brown pwdr.
Molecular Weight: 222.4
Melting Point: no data
Boiling Point: dec. 150°C
Vapor Pressure: no data
Specific Gravity: no data
Odor: none
Solubility in Water: soluble

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SECTION 10: Stability and Reactivity
Stability: hygroscopic
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: none
Incompatibility: Oxidizing agents
Decomposition Products: Carbon dioxide, carbon monoxide, organic vapors, and metal oxides and carbonates.

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SECTION 11: Toxicological Information
RTECS Data: No information available in the RTECS files.
Carcinogenic Effects: No data available
Mutagenic Effects: No data available
Tetratogenic Effects: No data available

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SECTION 12: Ecological Information
Ecological Information: No information available

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SECTION 13: Disposal Considerations
Disposal: Dispose of according to local, state and federal regulations.

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SECTION 14: Transportation
Shipping Name (CFR): Non-hazardous
Hazard Class (CFR): NA
Additional Hazard Class (CFR): NA
Packaging Group (CFR): NA
UN ID Number (CFR): NA
Shipping Name (IATA): Non-hazardous
Hazard Class (IATA): NA
Additional Hazard Class (IATA): NA
Packaging Group (IATA): NA
UN ID Number (IATA): NA

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SECTION 15: Regulatory Information
TSCA: Not listed in the TSCA inventory.
SARA (Title 313): Title compound not listed.
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

合成制备方法

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用途

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反应信息

• 作为反应物：
  描述：

  2,2,6,6-四甲基-3,5-庚二酮酸钾 、 四氯化钨 以 四氢呋喃 为溶剂， 生成 W(thd)4
  参考文献：
  名称：

  SYNTHESIS AND USE OF PRECURSORS FOR VAPOR DEPOSITION OF TUNGSTEN CONTAINING THIN FILMS

  摘要：

  提供了合成W（IV）β-二酮酸盐前体的方法。此外，还提供了制备含W的薄膜的方法，例如WS2，WNx，WO3和W，通过蒸汽沉积过程，例如原子层沉积（ALD）类型过程和化学气相沉积（CVD）类型过程。还提供了制备含W的二维材料的方法。

  公开号：

  US20180099916A1
• 作为产物：
  描述：

  2,2,6,6-四甲基-3,5-庚二酮 在 potassium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 2,2,6,6-四甲基-3,5-庚二酮酸钾
  参考文献：
  名称：

  SYNTHESIS AND USE OF PRECURSORS FOR VAPOR DEPOSITION OF TUNGSTEN CONTAINING THIN FILMS

  摘要：

  提供了合成W（IV）β-二酮酸盐前体的方法。此外，还提供了制备含W的薄膜的方法，例如WS2，WNx，WO3和W，通过蒸汽沉积过程，例如原子层沉积（ALD）类型过程和化学气相沉积（CVD）类型过程。还提供了制备含W的二维材料的方法。

  公开号：

  US20180099916A1

文献信息

• Mechanism of the Ullmann Biaryl Ether Synthesis Catalyzed by Complexes of Anionic Ligands: Evidence for the Reaction of Iodoarenes with Ligated Anionic Cu^I Intermediates
  作者：Ramesh Giri、Andrew Brusoe、Konstantin Troshin、Justin Y. Wang、Marc Font、John F. Hartwig

  DOI：10.1021/jacs.7b11853

  日期：2018.1.17

  characterized by a combination of 19F NMR, 1H NMR, and UV-vis spectroscopy, as well as ESI-MS. The heteroleptic complexes generated in situ react with iodoarenes to form biaryl ethers in high yields without evidence for an aryl radical intermediate. Measurements of 13C/12C isotope effects showed that oxidative addition of the iodoarene occurs irreversibly. This information, in combination with the kinetic

  据报道，一系列实验研究以及 DFT 计算提供了在由 Cu(I) 和双齿阴离子配体生成的催化剂存在下苯酚与芳基卤化物的 Ullmann 偶联机制的详细视图。这些研究包括包含通过 8-羟基喹啉、2-吡啶甲基叔丁基酮和 2,2,6,6-四甲基庚烷-3,5-二酮去质子化形成的阴离子配体的催化剂。实验和 DFT 计算表明，三配位杂配物种 [Cu(LX)OAr]- 是含有 8-羟基喹啉或 2-吡啶甲基叔丁基酮的催化体系中最稳定的配合物，并且在该体系中可逆生成含有 2,2,6,6-四甲基庚烷-3,5-二酮。这些杂配配合物通过 19F NMR、1H NMR、和紫外可见光谱，以及 ESI-MS。原位生成的杂配配合物与碘芳烃反应以高产率形成联芳醚，而没有芳基中间体的证据。对 13C/12C 同位素效应的测量表明，碘芳烃的氧化加成是不可逆的。该信息与动力学数据相结合，表明 [Cu(LX)OAr]- 复合物发生氧
• CarbonCarbon bond formation by coordination of carbocations with carbanions.
  作者：Edward M. Arnett、E.B. Troughton

  DOI：10.1016/s0040-4039(00)86253-x

  日期：1983.1

  Direct attack of resonance-stabilized carbenium ions and carbanions can be regulated to provide a wide range of rates and equilibria for the study of carboncarbon bond formation

  可以调节共振稳定的碳正离子和碳负离子的直接攻击，从而为研究碳碳键的形成提供广泛的速率和平衡
• Chemical vapour deposition of platinum films on electrodes for pacemakers: Novel precursors and their thermal properties
  作者：Svetlana I. Dorovskikh、Galina I. Zharkova、Asiya E. Turgambaeva、Vladislav V. Krisyuk、Natalia B. Morozova

  DOI：10.1002/aoc.3654

  日期：2017.7

  technique. Using this precursor, Pt films were deposited on electrodes for pacemakers under various conditions. The composition, structure, morphology and electrochemical properties of the deposited films were investigated using X‐ray diffraction, X‐ray photoelectron spectroscopy, scanning electron microscopy and cyclic voltammetry and LCR measurements. Pt films deposited in the presence of oxygen have

  通式（CH 3）3 Pt（L）Py（L = R 1 COCHCOR 2 ; R 1  = R 2  = CF 3（hfac），t Bu（thd）， CH 3（acac）； R 1  = CF 3，R 2  =  t Bu（ptac），CH 3（tfac）； Py =吡啶）已经以高收率合成。（CH 3）3的热性质使用热重分析/差示热分析和流动方法研究了Pt（L）Py，以证明其作为金属有机化学气相沉积前体的适用性。汽化（CH 3）3的热解在低压化学气相沉积条件下，使用原始技术研究了在真空中以及在氢或氧存在下的Pt（acac）Py。使用该前体，在各种条件下将Pt膜沉积在起搏器的电极上。使用X射线衍射，X射线光电子能谱，扫描电子显微镜，循环伏安法和LCR测量研究了沉积膜的组成，结构，形态和电化学性能。敷在氧的存在下的Pt膜具有分形状形态作为结果的真实表面面积的最高值（851-943毫米2）和容量（μF5-8
• Phenoxyl radical complexes of chromium(III), manganese(III), cobalt(III), and nickel(II)
  作者：Jochen Müller、Akihiro Kikuchi、Eckhard Bill、Thomas Weyhermüller、Peter Hildebrandt、Linda Ould-Moussa、Karl Wieghardt

  DOI：10.1016/s0020-1693(99)00314-x

  日期：2000.1

  Bu2acac−, very stable octahedral complexes with di- or trivalent metal ions: [MIII(L1)(Ph2acac)](ClO4) M=CoIII (1), CrIII (3), MnIII (7), GaIII (11); [MII(L1)(Ph2acac)] M=NiII (9); [MIII(L2)(Bu2acac)](ClO4) M=CoIII (2), CrIII (4), MnIII (8), GaIII (12), [MII(L1)(Bu2acac)] M=NiII (10); [CrIII(L2)(acac)](ClO4) (5), [CrIII(L2)(C2O4)] (6). All of these monophenolatometal complexes can be electrochemically, reversibly

  摘要四齿单阴离子大环化合物1,4-二甲基-7-（3-叔丁基-5-甲氧基-2-羟基苄基）-1,4,7-三氮杂环壬烷，H（L1）和1,4-二异氰酸酯-二丙基7-（3,5-二叔丁基-2-羟基苄基）-1,4,7-三氮杂环壬烷H（L2）在双齿大肠菌素和1,3-二苯基-1存在下形成3-丙二酸酯，Ph2acac，1,3-二甲基-1,3-丙二酸酯，acac或1,3-二叔丁基-1,3-二酸酯，Bu2acac-，非常稳定的八面体配合物，具有二价或三价金属离子：[MIII（L1）（Ph2acac）]（ClO4）M = CoIII（1），CrIII（3），MnIII（7），GaIII（11）；[MII（L1）（Ph2acac）] M = NiII（9）； m ＝ NiII。[MIII（L2）（Bu2acac）]（ ）M = CoIII（2），CrIII（4），MnIII（8），GaIII（12），[MII（L1）（Bu2acac）]
• Mixed pyrazolylborate-β-diketonate-Ln(III) complexes
  作者：Wayne D. Moffat、Matthew V.R. Stainer、Josef Takats

  DOI：10.1016/s0020-1693(00)84041-4

  日期：1987.12