ytterbium(III) acetylacetonate | 14284-98-1

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机钪、钽、铊、钨、锑、镧、铅、钒、钼、铬、镱等
• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ytterbium(III) acetylacetonate
• 英文别名: Yb(acac)3；ytterbium acetylacetonate；Yb(acetylacetonate)₃；(Z)-4-oxopent-2-en-2-olate;ytterbium(3+)
• CAS: 14284-98-1
• 化学式: C₁₅H₂₁O₆Yb
• 分子量: 470.368
• InChiKey: CVEKUGFVEWLJFN-LNTINUHCSA-K

物化性质

• 熔点：
  122°C
• 闪点：
  >110°C
• 稳定性/保质期：
  在常温常压下，该物质是稳定的。应避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.48
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  120
• 氢给体数：
  0
• 氢受体数：
  6

ADMET

毒理性

• 副作用

纤维原性 - 引发组织损伤和纤维化（疤痕形成）。

Fibrogenic - Inducing tissue injury and fibrosis (scarring).

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

• TSCA：
  No
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 储存条件：
  常温下应密闭避光保存，并保持通风和干燥。

SDS

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Section 1: Product Identification
Chemical Name: Ytterbium (III) acetylacetonate hydrate (99.9%-Yb) (REO)
CAS Registry Number: 14284-98-1
Formula: Yb(CH3COCHCOCH3)3.XH2O
EINECS Number: none
Chemical Family: metal beta-diketonate complexes
Synonym: Tris(2,4-pentanedionato)ytterbium (III) hydrate

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 14284-98-1 100% no data no data

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Section 3: Hazards Identification
Emergency Overview: Irritating to skin, eyes and respiratory tract.
Primary Routes of Exposure: Ingestion, Inhalation of dust.
Eye Contact: Causes slight to mild irritation of the eyes
Skin Contact: Causes slight to mild irritation of the skin.
Inhalation: Irritating to the nose, mucous membranes and respiratory tract.
Ingestion: No information on the physiological effects of ingestion.
Acute Health Affects: 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: pwdr.
Molecular Weight: 470.37
Melting Point: no data
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: none
Solubility in Water: insoluble

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SECTION 10: Stability and Reactivity
Stability: air and moisture stable solid
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: none
Incompatibility: halogens and 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

理化性质

白色晶体。

用途

乙酰丙酮镱用作有机合成催化剂，也可作为科研试剂和生化研究使用。

反应信息

• 作为反应物：
  描述：

  ytterbium(III) acetylacetonate 以 neat (no solvent) 为溶剂， 生成 ytterbium(III) oxide
  参考文献：
  名称：

  Core and shell structure of ytterbium sesquioxide nanoparticles

  摘要：

  This paper reports results concerning the crystal structure of core and shell as well as microstructure of 25 nm-ytterbium sesquioxide (Yb2O3) nanoparticles synthesized using a unique method based on thermal decomposition of a 2,4 pentadione complex. Used Raman spectroscopy measurements indicate core/shell structure, with monoclinic or a mixture of monoclinic and cubic symmetry of the particle shell. In addition, XRPD and SAED confirmed bixbyite structure type for the core (space group Ia (3) over bar). Broadening of the observed Raman bands indicates structural distortions in the nanocrystalline sample. The size/strain analysis was done on XRPD data using Fullprof/MarqX approach. Anisotropy of X-ray line broadening is caused by size effects only. The resulting mean microstrain (6 x 10(-4)) points to a low concentration of defects within the crystallites. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jallcom.2010.03.158
• 作为产物：
  描述：

  tris(acetylacetonato)ytterbium(α,α'-bipyridyl) 以 neat (no solvent) 为溶剂， 生成 ytterbium(III) acetylacetonate
  参考文献：
  名称：

  Dzyubenko, N. G.; Korytnyi, E. F.; Martynenko, L. I., Russian Journal of Inorganic Chemistry, 1990, vol. 35, p. 833 - 836

  摘要：

  DOI：

文献信息

• Electrochemistry of lanthanoid(III) complexes in dimethyl sulfoxide in the presence of n-Bu4N(acac) and n-Bu4N(dibm)
  作者：Akio Iwase、Yoshinori Araki、Reiko Takahashi

  DOI：10.1016/0013-4686(90)87070-i

  日期：1990.11

  lanthanoid Ln(III) complexes was investigated in Me2SO including n-Bu4N(acac) and n-Bu4N(dibm) as ligands (where acac is the acetylacetonate anion and dibm is the diisobutrylmethanate anion). Reversible one electron reduction waves corresponding to Ln(III) complexes→Ln(II) complexes were observed in the concentration range of 5–20 mM of the ligands, including 1 mM lanthanoid perchlorates and 0.1 M TEAP

  镧系LN（III）络合物的电化学行为在我研究了2 SO包括Ñ -Bu 4 N（ACAC）和Ñ -Bu 4 N（dibm）作为配体（其中ACAC是乙酰丙酮化物阴离子和dibm是diisobutrylmethanate阴离子） 。在5–20 mM的配体浓度范围内观察到了对应于Ln（III）配合物→Ln（II）配合物的可逆的一个电子还原波，包括1 mM镧系高氯酸盐和0.1 M TEAP。在存在5 mM配体的情况下，在0.1 M TEAP中，镧系元素络合物的半波电势为sce -1.66至-2.61 V ，具体取决于镧系元素（III）离子。
• Preparation of ytterbium(III) beta-diketonates
  申请人：Gerlach Arne

  公开号：US20060020121A1

  公开（公告）日：2006-01-26

  The invention relates to a process for preparing ytterbium(III) β-diketonates, especially ytterbium(III) acetylacetonate, to the ytterbium(III) β-diketonates prepared by this process and to the use thereof as catalysts.

  这项发明涉及一种制备钇(III) β-二酮酸盐的方法，特别是钇(III) 乙酰丙酮酸盐的制备方法，以及由该方法制备的钇(III) β-二酮酸盐作为催化剂的用途。
• Synthesis of asymmetric tetraarylporphyrins and their ytterbium complexes
  作者：V. D. Rumyantseva、N. V. Roshchina、L. D. Fedorova、A. F. Mironov、V. M. Markushev、I. P. Shilov

  DOI：10.1134/s1068162011060136

  日期：2011.11

  The synthesis of asymmetric meso-aryl-substituted porphyrins containing three 4-methoxycarbonylphenyl groups, and as a forth substituent 4-hydroxyphenyl or 4-hydroxy-3- methoxyphenyl radicals, or the isomeric 3- and 4-pyridyl substituents is described. O-alkyl derivatives of 4-hydroxyl residue are obtained. The ytterbium complexes ofthese porphyrins were synthesized and studied their luminescence spectral

  描述了包含三个4-甲氧基羰基苯基和作为第四取代基的4-羟基苯基或4-羟基-3-甲氧基苯基，或异构的3-和4-吡啶基取代基的不对称的被中-芳基取代的卟啉的合成。获得了4-羟基残基的O-烷基衍生物。合成了这些卟啉的complex配合物，并研究了其发光光谱特性。结果表明，不对称卟啉的酯和酸的the配合物的激发态寿命存在显着差异。
• Lanthanide catalysts for the hetero Diels–Alder reaction: effect of ligand structure and acidity
  作者：Claude Spino、Laurel L. Clouston、David J. Berg

  DOI：10.1139/v97-125

  日期：1997.8.1

  A series of yttrium, ytterbium, and lanthanum hexa-or heptacoordinate complexes were prepared and their catalytic activities tested in the hetero Diels–Alder reaction between crotonaldehyde and ethyl vinyl ether. It was found that a pK_a below 7 of the ligand was necessary but not sufficient for catalytic activity. It was determined that the ligand should possess a perfluoromethyl-β-diketonate functionality. Other factors such as bite angle and hinging motion may also play a determining role. Keywords: lanthanide, catalyst, hetero Dielsis–Alder, yttrium, ytterbium, lanthanum.

  一系列的钇、镱和镧的六或七配位配合物已被制备并在丁烯醛和乙基乙烯醚的杂Diels-Alder反应中测试了它们的催化活性。发现配体的pK_a低于7是必要的但不足以保证催化活性。确定了配体应具有全氟甲基-β-二酮酸酯功能。其他因素，如咬合角度和铰链运动，也可能发挥决定性作用。关键词：镧系元素、催化剂、杂Diels-Alder、钇、镱、镧。
• Synthesis and Luminescent Properties of Novel Lanthanide(III) β-Diketone Complexes with Nitrogen <i>p</i>,<i>p</i>‘-Disubstituted Aromatic Ligands
  作者：Anna Bellusci、Giovanna Barberio、Alessandra Crispini、Mauro Ghedini、Massimo La Deda、Daniela Pucci

  DOI：10.1021/ic048951r

  日期：2005.3.21

  those found for the crystal structures containing the fragments [Ln(III)(phen)] and [Ln(III)(bipy)] obtained from the Cambridge Structural Database. The influence exerted by the electron-attracting groups on the coordination ability of the ligands, that in some cases becomes lack of coordination of the lanthanide ions, has been also detected in solution where the loss of the ligand has been followed

  通式为[Ln（acac）3 L（m）]的三-β-二酮丙酮酸镧系元素（Ln）络合物（Ln = Eu，Er，Yb，Tb），具有螯合配体，例如4,7-二取代-1，已经合成并充分表征了10-菲咯啉和4,4'-二取代-2,2'-联吡啶。在固态和溶液态下都已研究了对位取代基对芳族N供体配体的诱导作用。已确定1,10-菲咯啉-4,7-二羧酸二乙酯euro和4,4'-二甲氧基-2,2'-联吡啶衍生物的单晶X射线结构，揭示了四方棱柱形几何形状的扭曲。在两种情况下都是镧系元素原子。p，p'施加的影响 讨论了关于Ln-N键距离上氮配位原子的取代基-比较了几何参数与包含碎片[Ln（III）（phen）]和[Ln（III）（bipy）的晶体结构所发现的几何参数]从剑桥结构数据库获得。吸电子基团对配体配位能力的影响（在某些情况下会导致镧系元素离子失去配位作用）也已在溶液中进行了检测，其中配体的损失已通过紫外-可见光谱法进行了研究。