(R)-1-[(Sp)-2-(dicyclohexylphosphino)ferrocenylethyl]diphenylphosphine | 158923-09-2

• 物质功能分类: 化学试剂 - 有机试剂 - 膦配体
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (R)-1-[(Sp)-2-(dicyclohexylphosphino)ferrocenylethyl]diphenylphosphine
• 英文别名: (R,Sp)-Josiphos；SL-J004-1；(S)-1-[(Rp)-2-(Dicyclohexylphosphino)ferrocenyl]ethyldiphenylphosphine；cyclopenta-1,3-diene;dicyclohexyl-[2-[(1R)-1-diphenylphosphanylethyl]cyclopenta-1,3-dien-1-yl]phosphane;iron(2+)
• CAS: 158923-09-2
• 化学式: C₃₆H₄₄FeP₂
• 分子量: 594.54
• InChiKey: ABDQIEHFQHRVIN-KHZPMNTOSA-N

物化性质

• 比旋光度：
  -100° ±5° (c 0.5, CHCl3)

计算性质

• 辛醇/水分配系数(LogP)：
  9.77
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  29319090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

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Section 1: Product Identification
Chemical Name: (R)-(-)-1-[(S)-2-Dicyclohexylphosphino)ferrocenyl]ethyldiphenylphosphine, min. 97%
CAS Registry Number: 158923-09-2
Formula: C36H44FeP2
EINECS Number: None
Chemical Family: organophosphine ligand
Synonym: [(S)-1-(R)-(-)-2(Diphenylphosphanylethyl)dicyclohexyl phosphanylferrocene

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 158923-09-2 100% no data no data

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Section 3: Hazards Identification
Emergency Overview: Irritating to skin, eyes and mucous membranes. May be harmful if swallowed.
Primary Routes of Exposure: Ingestion, eyes
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.
Acute Health Affects: Irritating to skin, eyes and respiratory tract.
The toxicological properties of this compound have not been thoroughly investigated. Unrecognized hazards
Chronic Health Affects:
may be present.
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: not applicable
Autoignition Temperature: none
Explosion Limits: none
Extinguishing Medium: carbon dioxide, foam or dry powder
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 and vapors of phosphorus pentoxide.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

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SECTION 6: Accidental Release Measures
Small spills can be mixed with vermiculite, sodium carbonate or other suitable non combustible adsorbent and
Spill and Leak Procedures:
swept up.

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SECTION 7: Handling and Storage
Keep material in a tightly sealed container. Prolonged exposure to the air will result in degradation of the
Handling and Storage:
product. Handle and store material under an inert atmosphere of nitrogen or argon.

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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: Material may form a fine dust. If possible, 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: 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: orange powder
Molecular Weight: 594.59
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: exposure to oxygen, contact with strong oxidizing agents
Incompatibility: Oxidizing agents and halogens
Decomposition Products: carbon dioxide, carbon monoxide, organic fumes, phosphorus oxides, and iron oxide.

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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

反应信息

• 作为反应物：
  描述：

  bis(1,5-cyclooctadiene)nickel (0) 、 (R)-1-[(Sp)-2-(dicyclohexylphosphino)ferrocenylethyl]diphenylphosphine 反应 0.33h， 以88%的产率得到
  参考文献：
  名称：

  镍催化的丙酮与芳基氯化物和苯酚衍生物的单选择性α-芳基化反应。

  摘要：

  丙酮与芳基氯化物，新戊酸酯和氨基甲酸酯的具有挑战性的镍催化的单α-芳基化反应已首次实现。镍/ Josiphos基催化体系显示出独特的催化行为，可以高度选择性地形成所需的单α-芳基化丙酮。所开发的方法适用于各种（杂）芳基氯化物，包括生物学相关的衍生物。该方法已扩展到丙酮与苯酚衍生物的空前偶联。机理研究允许分离和表征关键的Ni 0和Ni II催化中间体。已证明Josiphos配体在稳定Ni II中间体以产生Ni 0方面起关键作用/ Ni II催化途径。然后利用对空气稳定的Ni II预催化剂，利用机理上的理解来改进方案。

  DOI：