tris(dipivaloylmethanato)europium(III) | 15522-71-1

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机铋、钴、镨、钆、镓、铱、铼、钇、铽等
• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tris(dipivaloylmethanato)europium(III)
• 英文别名: Eu(2,2,6,6-tetramethyl-3,5-heptanedionato)3；Eu(2,2,6,6-tetramethyl-3,5-heptanedionate)3；Eu(dpm)₃；europium tris(2,2,6,6-tetramethyl-3,5-heptanedionato)；europium tris(2,2,6,6-tetramethyl-3,5-heptanedionate)；europium(III) tris(2,2,6,6-tetramethyl-3,5-heptanedionate)；tris(2,2,6,6-tetramethyl-3,5-heptanedionato) europium(III)；tris(2,2,6,6-tetramethyl-3,5-heptanedionato)europium；tris(dipivaloylmethanato)Eu(III)；europium dipivaloylmethanate；Eu(2,2,4,4-tetramethyl-3,5-heptanedionate)3；[Eu(2,2,6,6-tetramethyl-3,5-heptadioate)3]；[Eu(dipivaloylmethane)3]；[Eu(thd)3]；Europium(III) 2,2,6,6-tetramethylheptane-3,5-dione；europium(3+);(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate
• CAS: 15522-71-1
• 化学式: C₃₃H₅₇EuO₆
• 分子量: 701.772
• InChiKey: DVUACRCEVJAWMS-LWTKGLMZSA-K

物化性质

• 熔点：
  187-191 °C
• 沸点：
  275°C
• 稳定性/保质期：
  在常温常压下稳定，应避免接触水分、潮湿和酸性物质。

计算性质

• 辛醇/水分配系数(LogP)：
  5.68
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  120
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• TSCA：
  Yes
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2914509090
• 储存条件：
  常温密闭避光，存于通风干燥处。

SDS

Tris(2,2,6,6-tetramethyl-3,5- Revision number: 5
heptanedionato)europium(III) [NMR Shift Reagent]
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)europium(III) [NMR Shift Reagent]

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
Not classified
HEALTH HAZARDS
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols None
Signal word No signal word
Hazard statements None
Precautionary statements: None

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance
Substance/mixture:
Components: Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)europium(III) [NMR Shift Reagent]
....
Percent:
CAS Number: 15522-71-1
Eu(dpm)3 , Europium(III) Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)
Synonyms:
Chemical Formula: C33H57EuO6

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Skin contact: Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Get medical advice/attention if you feel unwell. Rinse mouth.
Ingestion:
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Dry chemical, foam, water spray, carbon dioxide.
Suitable extinguishing
media:
Tris(2,2,6,6-tetramethyl-3,5-
heptanedionato)europium(III) [NMR Shift
Reagent]

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Section 5. FIRE-FIGHTING MEASURES
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store under inert gas.
Protect from moisture.
Store away from incompatible materials such as oxidizing agents.
Hygroscopic
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Crystal- Powder
Form:
Colour: Pale yellow - Yellow
No data available
Odour:
pH: No data available
Melting point/freezing point:190°C
Boiling point/range: No data available
No data available
Flash point:
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: No data available
Solubility(ies):
Tris(2,2,6,6-tetramethyl-3,5-
heptanedionato)europium(III) [NMR Shift
Reagent]

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
[Water] No data available
[Other solvents] No data available

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Section 10. STABILITY AND REACTIVITY
Stable under proper conditions.
Chemical stability:
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide
products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
NTP = No data available
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
No data available
Crustacea:
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
Log Pow: No data available
Soil adsorption (Koc): No data available
No data available
Henry's Law
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not listed

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.
Tris(2,2,6,6-tetramethyl-3,5-
heptanedionato)europium(III) [NMR Shift
Reagent]

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

衍生化试剂是一种用于化学修饰的试剂。

反应信息

• 作为反应物：
  描述：

  tris(dipivaloylmethanato)europium(III) 以 neat (no solvent) 为溶剂， 生成 氢化铕
  参考文献：
  名称：

  Temperature dependent rate constants for the reactions of gas phase lanthanides with N2O

  摘要：

  The reactivity of gas phase lanthanide (Ln) atoms (Ln=La–Yb with the exception of Pm) with N2O from 298 to 623 K is reported. Lanthanide atoms were produced by the photodissociation of Ln(TMHD)3 (TMHD=2,2,6,6-tetramethyl-3,5-heptanato ion) and detected by laser-induced fluorescence. Large variations in the reaction rate constants are observed. The bimolecular rate constants are described in Arrhenius form by k[Ce(1G4)]=(1.9±0.5)×10−10 exp(−0.8±0.8 kJ mol−1/RT); Pr(4I9/2), (3.6±1.2)×10−10 exp(−8.0±1.2 kJ mol−1/RT); Nd(5I4), (3.4±0.4)×10−10 exp(−8.8±0.5 kJ mol−1/RT); Sm(7F0), (3.2±1.1)×10−10 exp(−11.2±1.2 kJ mol−1/RT); Eu(8S7/2), (2.7±0.4)±10−10 exp(−12.7±0.5 kJ mol−1/RT); Gd(9D2), (2.0±0.3)×10−10 exp(−6.4±0.5 kJ mol−1/RT); Tb(6H15/2), (2.9±0.5)×10−10 exp(−10.9±0.6 kJ mol−1/RT); Dy(5I8), (3.4±0.8)×10−10 exp(−16.2±0.8 kJ mol−1/RT); Ho(4I15/2), (2.9±0.5)×10−10 exp(−17.1±0.6 kJ mol−1/RT); Er(3H6), (3.3±1.2)×10−10 exp(−18.4±1.2 kJ mol−1/RT); Tm(2F7/2), (3.5±0.6)×10−10 exp(−19.5±0.6 kJ mol−1/RT); Yb(1S0), (2.5±0.2)×10−10 exp(−20.2±0.3 kJ mol−1/RT) where the uncertainties represent ±2σ. The reaction barriers are found to correlate to the energy required to promote an electron out of the 6s subshell.

  DOI：

  10.1063/1.479336
• 作为产物：
  描述：

  [tris(dipivaloylmethanato)diaqua]Eu(III) 以 neat (no solvent) 为溶剂， 生成 tris(dipivaloylmethanato)europium(III)
  参考文献：
  名称：

  辅助配体N，N-二甲基氨基乙醇在二聚体β-二酮酸酯中Eu（III）和Tb（III）发光敏化中的作用。

  摘要：

  两种二聚体复合物[Ln2（hfa）6（mu2-O（CH2）2NHMe2）2]和[Ln（thd）2（mu2，eta2-O（CH2）2NMe2）] 2（Ln = YIII，EuIII，GdIII ，TbIII，TmIII，LuIII； hfa- =六氟乙酰丙酮，thd- =二新戊酰基甲酰氨基）分别通过[Ln（hfa）3（H2O）2]和[Ln（thd）3]与N，N-二甲基氨基乙醇的反应制得并具有充分的特征。对TbIII化合物进行的X射线单晶分析证实了其二聚体结构。N，N-二甲基氨基乙醇的配位方式取决于β-二酮酸酯的性质。在[Tb2（hfa）6（mu2-O（CH2）2NHMe2）2]中，八配位的TbIII离子采用扭曲的方形反棱柱配位环境，并被两个带有Tb1的两性离子N，N-二甲基氨基乙醇配体O桥。 Tb2分离为3.684（1）A。在[Tb（thd）2（mu2，eta2-O（CH2）2NMe2）] 2中，N

  DOI：

  10.1021/jp711305u
• 作为试剂：
  描述：

  苯甲酰溴 、 氧化环己烯 在 tris(dipivaloylmethanato)europium(III) 作用下， 以 苯 为溶剂， 反应 15.0h， 以91%的产率得到2-bromocyclohexyl benzoate
  参考文献：
  名称：

  镧系元素催化环氧化物与酰基卤的开环反应

  摘要：

  Eu（dpm）3 [dpm：二新戊酰基甲酸酯]催化环氧化物与酰基卤的开环反应，得到相应的2-卤代烷基酯。在环己烯氧化物反应的情况下，立体化学过程被确认为反式加成。

  DOI：

  10.1016/s0040-4039(98)00831-4

文献信息

• Crystal Structures of [Dy(dpm)3]2 and Dy(dpm)3, Luminescent and X-Ray Fluorescent Study of Lanthanide(III) Tris-Dipivaloylmethanates
  作者：Huang Shen、A. S. Berezin、O. V. Antonova、V. V. Zvereva、I. V. Korolkov、N. V. Pervukhina、S. A. Prokhorova、P. A. Stabnikov

  DOI：10.1134/s0022476618030265

  日期：2018.5

  Crystal structures of [Dy(dpm)3]2 (1) at 155(2) K (space group P21/n, a = 12.2191(3) Å, b = 27.6044(6) Å, с = 21.8615(5) Å, β = 105.172(1)°, V = 7116.9(3) Å3, Z = 4) and Dy(dpm)3 (2) at 200(2) K (space group Pmn21, a = 17.8741(7) Å, b = 10.5639(4) Å, с = 9.8336(4) Å, V = 1856.78(13) Å3, Z = 2) are determined. The structure of complex 1 is similar to the previously known dimeric packings [Ln(dpm)3]2

  [Dy(dpm)3]2 (1) 在 155(2) K 的晶体结构（空间群 P21/n，a = 12.2191(3) Å，b = 27.6044(6) Å，с = 21.8615(5) Å , β = 105.172(1)°, V = 7116.9(3) Å3, Z = 4) 和 Dy(dpm)3 (2) 在 200(2) K（空间群 Pmn21, a = 17.8741(7) Å, b = 10.5639(4) Å, ñ = 9.8336(4) Å, V = 1856.78(13) Å3, Z = 2)。配合物 1 的结构类似于先前已知的二聚体填料 [Ln(dpm)3]2 (Ln = La, Pr, Nd, Eu, Gd, Tb)。配合物 2 与先前研究的分子配合物 Er(dpm)3 和 Lu(dpm)3 是同构的。在室温下，发现 Tb(dpm)3 的发光量子产率 (QY) 达到 77%，Dy(dpm)3
• The stoicheiometry and stability constants of adducts of lanthanide shift reagents
  作者：Graham A. Catton、F. Alan Hart、Gerard P. Moss

  DOI：10.1039/dt9760000208

  日期：——

  Application of Job's method to the visible spectra of adducts of tris(2,2,6,6-tetramethylheptane-3,5-dionato)-holmium in carbon tetrachloride shows that 1:1 adducts are formed with stability constants which vary considerably with the nature of the added ligand.

  Job方法在四氯化碳中三（2,2,6,6-四甲基庚烷-3,5-dionato）-hol加合物的可见光谱中的应用表明，形成的1：1加合物具有稳定常数，其随添加的配体的性质。
• Mechanically induced chemiluminescence in the dispiro(adamantane-1,2-dioxetane)?Eu(fod)3 system
  作者：V. A. Antipin、A. I. Voloshin、S. S. Ostakhov、Y. P. Kazakov

  DOI：10.1007/bf01431597

  日期：1996.5

  Luminescence accompanying an impact mechanical treatment of solid particles of the complex of Eu(fod)3 (fod is 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,6-dione) with dispiro(adamantane-1,2-dioxetane) (1) was discovered and studied. The luminescence has a complex structure, and its spectrum belongs to the excited EuIII ions. The emission of light is observed only in a mechanical mixture of the

  伴随 Eu(fod)3（fod 是 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,6-dione）的复合物的固体颗粒的冲击机械处理而发光dispiro(adamantane-1,2-dioxetane) (1) 被发现和研究。发光具有复杂的结构，其光谱属于激发态的 EuIII 离子。仅在 Eu(fod)3 与二氧杂环丁烷 1 的机械混合物以及它们的共结晶形式中观察到光的发射，但在组分分开的情况下观察不到。考虑了撞击引起发光的机制。结果表明，发光不是摩擦发光，而是由化合物1分解引起的化学发光。
• Studies on the mixed ligand complexes of rare earths with dipivaloylmethane and pyrazine
  作者：M. Shameem Ansari、Naseer Ahmad

  DOI：10.1016/0022-1902(75)80838-4

  日期：1975.10

  The mixed ligand complexes, tris(dipivaloylmethanato) pyrazinates of trivalent lanthanide (except Ce, Pm and Lu) and yttrium ions were synthesised and characterised by elemental analyses, melting points, thermogravimetric analyses, magnetic moments, molar conductances and i.r. spectrum. The complexes are Ln(dpm)3Pz where Ln = trivalent lanthanide or yttrium ion, dpm = dipivaloylmethane and Pz = pyrazine

  合成了混合的配体配合物，三价镧系元素的三（对二戊酰甲酰氨基）吡嗪酸盐（Ce，Pm和Lu除外）和钇离子，并通过元素分析，熔点，热重分析，磁矩，摩尔电导和红外光谱对其进行了表征。络合物为Ln（dpm）3 Pz，其中Ln =三价镧系元素或钇离子，dpm =二戊酰甲烷，Pz​​ =吡嗪。熔点随着原子序数的增加而降低。在吡嗪在氮气下加热之前，失去了二戊酰甲烷。络合物是非电解质。磁矩是正常的。讨论了红外光谱。
• Preparation and X-ray crystal structure (for Ln = Sm) of (µ-phthalocyaninato)bis[di(2,2,6,6-tetramethylheptane-3,5-dionato)Ln^III](Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Y)
  作者：Hiroshi Sugimoto、Teruaki Higashi、Atsushi Maeda、Masayasu Mori、Hideki Masuda、Tooru Taga

  DOI：10.1039/c39830001234

  日期：——

  The reaction of dilithium phthalocyanine with tris(2,2,6,6-tetramethylheptane-3,5-dionato)LnIII(Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Y) affords a series of (µ-phthalocyaninato)(diketonato)4Ln2complexes; the X-ray crystal structure of the samarium compound shows that the phthalocyanine ligand bridges two samarium atoms each co-ordinated by two β-diketonato ligands, and important molecular parameters

  酞菁二锂与三（2,2,6,6-四甲基庚烷-3,5-dionato）Ln III（Ln = Sm，Eu，Gd，Tb，Dy，Ho，Er，Tm，Yb和Y）的反应提供一系列（µ -phthalocyaninato）（diketonato）4 Ln 2配合物；mar化合物的X射线晶体结构表明，酞菁配体桥接两个sa原子，每个atoms原子由两个β-二酮基配体配位，重要的分子参数包括Sm–O av 2.284（17），Sm–N av 2.656（ 16）和Sm–Sm平均3.627（3）Å。

表征谱图