氯(2-二环己基膦基-2',6'-二异丙氧基-1,1'-联苯)[2-(2-氨基乙基苯基)]钯(II) | 1028206-60-1

• 物质功能分类: 化学试剂 - 有机试剂 - 多环化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 氯(2-二环己基膦基-2',6'-二异丙氧基-1,1'-联苯)[2-(2-氨基乙基苯基)]钯(II)
• 中文别名: 氯（2-二环己基膦基2''，6''-二异丙基-1,1''-联苯）[2-（2-氨基乙基苯基）]钯（II），甲基叔丁基醚加合物；氯(2-二环己膦基-2',6'-二I-丙氧基-1,1'-联苯)[2-(2-氨基乙基苯基)]钯(Ⅱ),甲基叔丁基醚；氯(2 -二环己膦基-2',6'-二I -丙氧基- 1,1'-联苯)[2- (2-氨基乙基苯基)]钯(Ⅱ),甲基叔丁基醚
• 英文名称: chloro(2-dicyclohexylphosphino-2′,6′-di-i-propoxy-1,1′-biphenyl)(2′-amino-1,1′-biphenyl-2-yl)-palladium(II)
• 英文别名: chloro(2-dicyclohexylphosphino-2,4',6'-tri-iso-propyl-1,1'-biphenyl) [2-(2-aminoethyl)phenyl] palladium(II) methyl-tert-butyl ether adduct；chloro(2-dicyclohexylphosphino-2',6'-di-i-propoxy-1,1'-biphenyl)[2-(2-aminoethylphenyl)]palladium(ll) methyl-t-butyl ether adduct；chloro-(2-dicyclohexylphosphino-2’,6’-di-i-propoxy-1,1‘-biphenyl)[2-(2-aminoethylphenyl)]palladium(II)；chloro-(2-dicyclohexylphosphino-2′,6′-diisopropoxy-1,1′-biphenyl)[2-(2-aminoethyl)phenyl]palladium(II)；chloro(2-dicyclohexylphosphino-2′,6′-diisopropyl-1,1′-biphenyl)[2-(2-aminoethyl)phenyl]palladium(II)；chloro(2-dicyclohexylphosphino-2',6'-diisopropoxy-1,1'-biphenyl)[2-(2'-amino-1,1'-biphenyl)]palladium (II)；chloropalladium(1+);dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;2-phenylethanamine
• CAS: 1028206-60-1
• 化学式: C₃₈H₅₃ClNO₂PPd
• 分子量: 728.691
• InChiKey: ZBIAIXFGBSQSTB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  10.38
• 重原子数：
  44
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

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Section 1: Product Identification
Chloro(2-dicyclohexylphosphino-2',6'-di-i-propoxy-1,1'-biphenyl)[2-(2-aminoethylphenyl)]palladium(II),
Chemical Name:
methyl-t-butylether adduct, min. 98% [RuPhos Palladacycle]
CAS Registry Number: 1028206-60-1
Formula: C38H53ClNO2PPd
EINECS Number: none
Chemical Family: organometallic complex
Synonym: none

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 1028206-60-1 100% 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
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 available on the physiological effects of ingestion. May be harmful if swallowed.
Acute Health Affects: Irritating to skin, eyes and respiratory tract.
Chronic Health Affects: No information 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 water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
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.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

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SECTION 5: Fire Fighting Measures
Flash Point: no data
Autoignition Temperature: no data
Explosion Limits: no data
Extinguishing Medium: carbon dioxide, dry powder or foam
If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
Special Fire Fighting Procedures:
self-contained 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 unususal 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 tightly sealed container. Keep in a cool, dry, well ventilated place.

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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 protective clothing and gloves.
Ventilation: Handle the material in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: 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: white powder
Molecular Weight: 728.68
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
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: none
Incompatibility: oxidizing agents and halogens
Decomposition Products: carbon monoxide, carbon dioxide, palladium oxide and organic fumes

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

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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

用途

氯(2-二环己膦基-2',6'-二异丙氧基-1,1'-联苯)[2-(2-氨基乙基苯基)]钯(Ⅱ)是一种含有钯元素的有机金属化合物。其中，2-二环己膦基-2',6'-二异丙氧基-1,1'-联苯作为配体，与钯离子形成稳定的络合物，这种结构使其在催化、材料科学等领域具有广泛的应用前景。引入2-(2-氨基乙基苯基)不仅增强了钯配合物的稳定性，还为其带来了潜在的生物活性，使其在生物医药领域中展现出应用潜力。

在催化领域，该化合物作为一种高效的催化剂，能够显著提高甲基叔丁基醚（MTBE）在石油化工、有机合成等反应中的转化效率。而在材料科学领域，则可以通过调控其与甲基叔丁基醚的反应条件，制备出具有特殊结构和功能的新材料，如高分子材料或纳米材料等。

反应信息

• 作为产物：
  描述：

  (N,N,N',N'-tetramethylethylenediamine)dimethylpalladium(II) 、 2-氯苯乙胺 、 2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯 以 further solvent(s) 为溶剂， 以86%的产率得到氯(2-二环己基膦基-2',6'-二异丙氧基-1,1'-联苯)[2-(2-氨基乙基苯基)]钯(II)
  参考文献：
  名称：

  一类新的易于活化的钯预催化剂，用于简单的 C−N 交叉偶联反应和芳基氯化物的低温氧化加成

  摘要：

  描述了一类新的带有联芳基膦配体的单组分 Pd 预催化剂。这些预催化剂对空气和热稳定，在室温或低于室温的正常反应条件下很容易活化，并确保形成氧化加成所需的高活性单连接 Pd(0) 络合物。探索了在 CN 交叉偶联反应中使用这些预催化剂作为 LPd(0) 的方便来源。本研究中展示的反应性在钯化学中是前所未有的。

  DOI：

  10.1021/ja801137k
• 作为试剂：
  描述：

  9-oxo-9H-xanthene-3,6-diyl bis(trifluoromethanesulfonate) 、 双(2,2,2-三氟乙基)胺 在 氯(2-二环己基膦基-2',6'-二异丙氧基-1,1'-联苯)[2-(2-氨基乙基苯基)]钯(II) 、 chloro(2-dicyclohexylphosphino-2’,6’-diisopropoxy-1,1’-biphenyl)[2-(2’-amino-1,1‘-biphenyl)]palladium(II) 2nd generation 、 caesium carbonate 作用下， 以 甲苯 为溶剂， 反应 19.0h， 以22%的产率得到
  参考文献：
  名称：

  A green-light-emitting, spontaneously blinking fluorophore based on intramolecular spirocyclization for dual-colour super-resolution imaging

  摘要：

  我们已经开发出第一种绿光发射、自发闪烁的荧光物质（SBF），HEtetTFER。

  DOI：

  10.1039/c7cc07783a

文献信息

• A New Class of Easily Activated Palladium Precatalysts for Facile C−N Cross-Coupling Reactions and the Low Temperature Oxidative Addition of Aryl Chlorides
  作者：Mark R. Biscoe、Brett P. Fors、Stephen L. Buchwald

  DOI：10.1021/ja801137k

  日期：2008.5.1

  one-component Pd precatalysts bearing biarylphosphine ligands is described. These precatalysts are air- and thermally stable, are easily activated under normal reaction conditions at or below room temperature, and ensure the formation of the highly active monoligated Pd(0) complex necessary for oxidative addition. The use of these precatalysts as a convenient source of LPd(0) in C-N cross-coupling reactions

  描述了一类新的带有联芳基膦配体的单组分 Pd 预催化剂。这些预催化剂对空气和热稳定，在室温或低于室温的正常反应条件下很容易活化，并确保形成氧化加成所需的高活性单连接 Pd(0) 络合物。探索了在 CN 交叉偶联反应中使用这些预催化剂作为 LPd(0) 的方便来源。本研究中展示的反应性在钯化学中是前所未有的。