(alphaR,betaR)-beta-(二苯基膦基)-alpha-甲基苯乙胺 | 799297-44-2

• 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: (alphaR,betaR)-beta-(二苯基膦基)-alpha-甲基苯乙胺
• 中文别名: (R,R)-(-)-2-氨基-1-苯基丙基二苯基磷, 97+%
• 英文名称: (1R,2R)-2-amino-1-phenylpropyldiphenylphosphine
• 英文别名: (1R,2R)-1-(diphenylphosphino)-1-phenylpropan-2-amine；(1R,2R)-1-diphenylphosphanyl-1-phenylpropan-2-amine
• CAS: 799297-44-2
• 化学式: C₂₁H₂₂NP
• 分子量: 319.386
• InChiKey: JWZAIGGNEGTDMG-UTKZUKDTSA-N

物化性质

• 熔点：
  105-109℃
• 沸点：
  450.0±38.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险等级：
  8
• WGK Germany：
  3
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险品运输编号：
  3263
• 危险性描述：
  H314

SDS

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Section 1: Product Identification
Chemical Name: (1R,2R)-2-Amino-1-phenylpropyldiphenylphosphine, min. 97%
CAS Registry Number: 799297-44-2
Formula: C21H22NP
EINECS Number: none
Chemical Family: organophosphine ligand
Synonym: (1R,2R)-2-Amino-1-phenylpropyldiphenylphosphane

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 799297-44-2 100% no data no data

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Section 3: Hazards Identification
Emergency Overview: Irritating to skin, eyes and respiratory tract. May be harmful if swallowed.
Primary Routes of Exposure: Ingestion, inhalation
Eye Contact: Causes slight to mild irritation of the eyes.
Skin Contact: Causes moderate irritation of the skin.
Inhalation: Dust is 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 irritating fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual 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
Store in a tightly sealed container under an inert atmosphere of nitrogen or argon. Keep in a cool, dry, well
Handling and Storage:
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 solid
Molecular Weight: 319.38
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 sensitive
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: prolonged exposure to air
Incompatibility: strong oxidizing agents
Decomposition Products: carbon monoxide, carbon dioxide, nitrogen oxides, phosphorous oxides 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

反应信息

• 作为反应物：
  描述：

  tris(triphenylphosphine)ruthenium(II) chloride 、 (alphaR,betaR)-beta-(二苯基膦基)-alpha-甲基苯乙胺 以 甲苯 为溶剂， 以79.3%的产率得到trans-dichlorobis((1R,2R)-2-amino-1-phenylpropyldiphenylphosphine)ruthenium
  参考文献：
  名称：

  甲氧麻黄碱的β-氨基膦配体的氢化钌配合物催化酮的不对称加氢

  摘要：

  与手性P-N配体（1个一系列钌络合物R， 2 - [R）-PPh 2 CHPhCHMeNH 2由式（1衍生S， 2 - [R ）-降麻黄碱合成从络合物RuHCl（PPH开始3）3或RuHCl（P -P）（PPh 3）（PP ＝（R）-结合或（S）-结合）。这些是简单有效地对酮进行不对称加氢的前催化剂。对于将苯乙酮氢化为1-苯乙醇，观察到的对映选择性可能与通过X射线衍射确定的预催化剂的结构有关。这种关系因频哪酮的氢化而破裂。

  DOI：

  10.1021/om049460h

文献信息

• RUTHENIUM CATALYSTS FOR CATALYTIC HYDROGENATION
  申请人：Chen Xuanhua

  公开号：US20090023961A1

  公开（公告）日：2009-01-22

  The present disclosure relates to a process for the hydrogenation of compounds comprising one or more carbon-oxygen (C═O) double bonds, to provide the corresponding alcohol, comprising contacting the compound with hydrogen gas at and a catalyst comprising a ruthenium-aryl-aminophosphine complex.

  本公开涉及一种用于加氢含有一个或多个碳氧（C═O）双键的化合物的过程，以提供相应的醇，包括将该化合物与氢气接触，使用催化剂，催化剂包括钌芳基氨基膦配合物。
• [EN] METHOD FOR PRODUCING AMIDINE DERIVATIVES<br/>[FR] PROCÉDÉ DE PRODUCTION DE DÉRIVÉS D'AMIDINE
  申请人：BIOCRYST PHARM INC

  公开号：WO2016029216A2

  公开（公告）日：2016-02-25

  The invention provides methods and intermediates useful in the synthesis of a compound of formula (I): or a pharmaceutically acceptable salt, solvate, ester or prodrug thereof; wherein the variables are as defined herein.

  本发明提供了用于合成式(I)化合物的方法和中间体，或其药学上可接受的盐、溶剂和前药酯；其中变量如本文所定义。
• Iron(II) Complexes Containing Chiral Unsymmetrical PNP′ Pincer Ligands: Synthesis and Application in Asymmetric Hydrogenations
  作者：Afrooz Zirakzadeh、Karl Kirchner、Alexander Roller、Berthold Stöger、Michael Widhalm、Robert H. Morris

  DOI：10.1021/acs.organomet.6b00711

  日期：2016.11.14

  Four new chiral PNP' pincer ligands with a scaffold consisting of a planar chiral ferrocene and a centro chiral aliphatic unit were synthesized and characterized. Treatment of anhydrous FeBr2(THF)(2) with 1 equiv of the unsymmetrical chiral PNP' pincer ligands afforded complexes of the general formula [Fe(PNP')Br-2]. In the solid state these complexes adopt a tetrahedral geometry with the PNP' ligands coordinated in a kappa P-2,N-fashion, as shown by X-ray crystallography. These complexes react with CO in the presence of NaBH4 to yield hydride complexes of the type [Fe(PNP')(H)(Br)(CO)], which were isolated and tested as catalysts in the asymmetric hydrogenation of ketones. Enantioselectivities of up to 81% ee were obtained.
• METHOD FOR THE PREPARATION OF AMINOPHOSPHINE LIGANDS AND THEIR USE IN METAL CATALYSTS
  申请人：Abdur-Rashid Kamaluddin

  公开号：US20100204514A1

  公开（公告）日：2010-08-12

  The present application is directed to i) a method for synthesizing aminophosphine (P,N) and phosphine-aminophosphine (P,N,P) ligands, ii) the use of such ligands in the preparation of metal complexes as hydrogenation catalysts, and iii) aminophosphine (P,N) and phosphine-aminophosphine (P,N,P) ligands of various structures. In particular, the methods in i) involve reacting a protected tertiary amine of formula (I) with a metal phosphide of the formula Y—PR8R9 to afford an aminophosphine of formula (II), which can then be optionally further reacted with a phosphine of the formula (III) to afford the phosphine-aminophosphine of formula (IV).
• US7772445B2
  申请人：——

  公开号：US7772445B2

  公开（公告）日：2010-08-10