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