bis(pentamethylcyclopentadienyl)ruthenium(II) | 84821-53-4

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机钌
• 分子结构分类: 有机化合物 - 碳氢化合物 - 芳香烃
• 英文名称: bis(pentamethylcyclopentadienyl)ruthenium(II)
• 英文别名: [(Cp*)₂Ru]；[Cp*₂Ru^II]；1,2,3,4,5-Pentamethylcyclopenta-1,3-diene;ruthenium(2+)
• CAS: 84821-53-4
• 化学式: C₂₀H₃₀Ru
• 分子量: 371.528
• InChiKey: FASACKQUUCTDAW-UHFFFAOYSA-N

物化性质

• 熔点：
  260 °C (dec.)(lit.)
• 稳定性/保质期：
  按规定使用和贮存的，不会分解，并应避免接触氧化物、空气及潮湿环境。

计算性质

• 辛醇/水分配系数(LogP)：
  5.89
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 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
• 储存条件：
  请将药品存放在密闭、阴凉、干燥的地方。

SDS

Name:	Bis(Pentamethylcyclopentadienyl)Ruthenium Material Safety Data Sheet
Synonym:	None
CAS:	84821-53-4

Section 1 - Chemical Product MSDS Name:Bis(Pentamethylcyclopentadienyl)Ruthenium Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
84821-53-4	Bis(pentamethylcyclopentadienyl)Ruthen	ca 100	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 84821-53-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 260 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: > 260 deg C
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C20H30Ru
Molecular Weight: 371.53

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 84821-53-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Bis(pentamethylcyclopentadienyl)Ruthenium - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 37/39 Wear suitable gloves and eye/face
protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 84821-53-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 84821-53-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 84821-53-4 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  bis(pentamethylcyclopentadienyl)ruthenium(II) 在 Br₂ 作用下， 以 氯仿 为溶剂， 以60%的产率得到bromo[(decamethyl)bis(cyclopentadienyl)]ruthenium bromide
  参考文献：
  名称：

  Albers, Michel O.; Liles, David C.; Robinson, David J., Organometallics, 1986, vol. 5, # 11, p. 2321 - 2327

  摘要：

  DOI：
• 作为产物：
  描述：

  nonamethylruthenocenylcarbenium hexafluorophosphate 在 NaBH₄ 作用下， 以 四氢呋喃 为溶剂， 以92%的产率得到bis(pentamethylcyclopentadienyl)ruthenium(II)
  参考文献：
  名称：

  Synthesis and crystal structure of nonamethylruthenocenylcarbenium hexafluorophosphate

  摘要：

  DOI：

  10.1016/0022-328x(87)83030-9

文献信息

• Ruthenium complexes bearing tridentate 2-(methylthio)phenylsalicylaldimine Schiff-base ligands
  作者：Chang-Jiu Wang、Hui Lin、Xin Chen、Ai-Quan Jia、Qian-Feng Zhang

  DOI：10.1016/j.ica.2017.06.004

  日期：2017.10

  2 ), while the reaction between [Ru(CO) 2 Cl 2 ] and HL without base resulted in a ruthenium(III) complex [Ru( ONS -L)(CO)Cl 2 ] ( 3 ). Treatment of RuCl 3 ·3H 2 O with HL in ethanol in the presence of triethylamine gave an anionic complex [Et 3 NH][Ru( ONS -L)Cl 3 ] ( 4 ), which reacted with [Cp ∗ 2 Ru] in the presence of sodium hydroxide to give complex [Cp ∗ Ru( η 6 -1,2,3,4-Me 4 C 6 H 2 )][Ru(

  在三乙胺存在下，[Ru（PPh 3）3 Cl 2]与2-（甲硫基）苯基水杨醛亚胺席夫碱（HL）在四氢呋喃（THF）中的反应得到钌（II）络合物[Ru（ONS -L） （PPh 3）2 Cl]·CH 3 OH·2.75H 2 O（1）。类似地，在三乙胺存在下，[Ru（CO）2 Cl 2]与HL在N，N'-二甲基甲酰胺（DMF）中反应得到钌（II）络合物[Ru（ONS -L）（CO）2 Cl] （2），而[Ru（CO）2 Cl 2]与没有碱的HL之间的反应产生了钌（III）络合物[Ru（ONS -L）（CO）Cl 2]（3）。在三乙胺的存在下，用乙醇在乙醇中用HL处理RuCl 3·3H 2 O，得到阴离子络合物[Et 3 NH] [Ru（ONS -L）Cl 3]（4），它与[Cp ∗ 2 Ru]发生反应。氢氧化钠的存在，得到配合物[Cp ∗ Ru（η6 -1,2,3，4-Me 4 C 6 H 2）]
• PROCESS FOR PREPARING DIENYL-RUTHENIUM COMPLEXES
  申请人：Doppiu Angelino

  公开号：US20110184203A1

  公开（公告）日：2011-07-28

  The present invention relates to a single-stage process for preparing dienyl-ruthenium complexes of the formula Ru(+II)(dienyl) 2 , wherein an Ru(II) starting compound of the formula Ru(X) p (Y) q is reacted with a diene ligand in the presence of an inorganic and/or organic base in a single-stage process. Here, polar organic solvents, preferably mixtures of polar organic solvents with water, are used. The dienyl-ruthenium complexes prepared according to the invention are used as precursors for homo-geneous catalysts, for producing functional coatings and for therapeutic applications.

  本发明涉及一种单阶段过程，用于制备公式为Ru(+II)(dienyl)2的二烯基钌络合物，其中，一种公式为Ru(X)p(Y)q的Ru(II)起始化合物与二烯配体在无机和/或有机碱的存在下通过单阶段过程进行反应。在此，使用极性有机溶剂，优选极性有机溶剂与水的混合物。根据本发明制备的二烯基钌络合物用作均相催化剂的前体，用于生产功能性涂料以及治疗应用。
• [EN] PROCESS FOR PREPARING DIENYL-RUTHENIUM COMPLEXES<br/>[FR] PROCÉDÉ POUR LA FABRICATION DE COMPLEXES DE DIÉNYL-RUTHÉNIUM
  申请人：UMICOR AG & CO KG

  公开号：WO2009146870A1

  公开（公告）日：2009-12-10

  The present invention relates to a single-stage process for preparing dienyl- ruthenium complexes of the formula Ru(+II)(dienyl)2, wherein an Ru(II) starting compound of the formula Ru(X)p(Y)q is reacted with a diene ligand in the presence of an inorganic and/or organic base in a single-stage process. Here, polar organic solvents, preferably mixtures of polar organic solvents with water, are used. The dienyl-ruthenium complexes prepared according to the invention are used as precursors for homogeneous catalysts, for producing functional coatings and for therapeutic applications.

  本发明涉及一种单阶段过程，用于制备公式为Ru(+II)(二烯基)2的二烯基钌络合物，其中，一种公式为Ru(X)p(Y)q的Ru(II)起始化合物与二烯配体在无机和/或有机碱的存在下通过单阶段过程进行反应。在此，使用极性有机溶剂，优选是与水混合的极性有机溶剂。根据本发明制备的二烯基钌络合物用作均相催化剂的前体，用于生产功能性涂料和用于治疗应用。
• Efficient Synthesis of Ruthenium(II) η⁵-Dienyl Compounds Starting from Di-μ-chlorodichloro- bis[(1−3η:6−8η)-2,7-dimethyloctadienediyl]diruthenium(IV). Versatile Precursors for Enantioselective Hydrogenation Catalysts
  作者：André Bauer、Ulli Englert、Stefan Geyser、Frank Podewils、Albrecht Salzer

  DOI：10.1021/om0007015

  日期：2000.12.1

  The dimeric complex di-μ-chlorodichloro-bis[(1−3η:6−8η)-2,7-dimethyloctadienediyl]diruthenium(IV) in the presence of base reacts with cyclic and acyclic dienes to the corresponding bis(η5-dienyl)ruthenium(II) compounds. Crystalline yellow compounds have been isolated in high yields for dienyl = cyclopentadienyl, pentamethylpentadienyl, cycloheptadienyl, indenyl, dimethylpentadienyl, and trimethylpentadienyl

  二聚复合物的二μ-chlorodichloro双[（1-3η：6-8η）-2,7- dimethyloctadienediyl]二钌（IV）与环状和无环二烯碱反应成相应的二的存在（η 5 -二烯基）钌（II）化合物。对于二烯基＝环戊二烯基，五甲基戊二烯基，环庚二烯基，茚基，二甲基戊二烯基和三甲基戊二烯基，已经以高收率分离出结晶黄色化合物。环己-1,3-二烯的类似反应，得到钌（0）化合物（η 6 -苯）（η 4-环六-1,3-二烯）钌。可以通过质子化和随后的配体交换将“开放的”双（二烯基）钌配合物转化为半三明治配合物。这些化合物可用作有效的对映选择性氢化催化剂的前体。
• Synthesis of the first 30-electron triple-decker complexes of the iron group metals with cyclopentadienyl ligands. X-Ray structure of [(η-C5H5)Ru(μ,η-C5Me5) Ru(η-C5Me5)]PF6
  作者：A.R. Kudinov、M.I. Rybinskaya、Yu.T. Struchkov、A.I. Yanovskii、P.V. Petrovskii

  DOI：10.1016/0022-328x(87)87168-1

  日期：1987.12

  The first 30-electron triple-decker complexes of the iron group metals [(η-C5R5)M(μ,η-C5Me5)M′(η-C5Me5)]PF6 were synthesized by reaction of [Fe(η-C5H5)(η-C6H6)]PF6 or [Ru(η-C5R5)(MeCN)3]PF6 (R = H, Me) with decamethylmetallocenes M′(η-C5Me5)2 (M′= Fe, Ru, Os). The pentamethylcyclopentadienyl ligand η-bonded to both metal atoms is the middle deck in these sandwich compounds. Their structure was confirmed

  铁族金属的前30个电子三重双层配合物[（η-C 5 - [R 5）M（μ，η-C 5我5）M'（η-C 5我5）] PF 6，通过合成的[Fe（η-C的反应5 ħ 5）（η-C 6 H ^ 6）] PF 6或的[Ru（η-C 5 - [R 5）（MeCN中）3 ] PF 6与decamethylmetallocenes（R = H，Me）的M'（η-C 5我5）2（M'＝ Fe，Ru，Os）。与两个金属原子键合的五甲基环戊二烯基配体是这些夹心化合物的中间平台。其结构经证实1 H和13 C 1 1个H} NMR光谱以及由[（η-C的X射线衍射研究5 ħ 5）的Ru（μ，η-C 5我5）的Ru（η -C 5 Me 5）] PF 6。