(1R,2R)-2-(二苯基磷)-2,3-二氢-1H-茚-1-胺 | 1091606-70-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 中文名称: (1R,2R)-2-(二苯基磷)-2,3-二氢-1H-茚-1-胺
• 中文别名: (1R,2R)-2-(二苯基膦)-2,3-二氢-1H-茚-1-胺；(1R,2R)-1-氨基-2-(二苯基膦基)二氢化茚；(1R,2R)-2-(二苯基膦基)-2,3-二氢-1H-茚-1-胺；(1R,2R)-1-氨基-2-(二苯基膦基)二氢化茚, 97+%
• 英文名称: (1S,2S)-2-(diphenylphosphino)-2,3-dihydro-1H-inden-1-amine
• 英文别名: (1R,2R)-2-(Diphenylphosphino)-2,3-dihydro-1H-inden-1-amine；(1R,2R)-2-diphenylphosphanyl-2,3-dihydro-1H-inden-1-amine
• CAS: 1091606-70-0
• 化学式: C₂₁H₂₀NP
• 分子量: 317.37
• InChiKey: IALYUOSURKZWLR-NHCUHLMSSA-N

物化性质

• 沸点：
  460.4±45.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• 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
Chemical Name: (1R,2R)-2-(Diphenylphosphino)-2,3-dihydro-1H-inden-1-amine, min. 97% (10wt% in THF)
CAS Registry Number: 1091606-70-0
Formula: C21H20NP
EINECS Number: none
Chemical Family: aminophosphine ligand
Synonym: (1R,2R)-2-(Diphenylphosphano)-2,3-dihydro-1H-inden-1-amine

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 1091606-70-0 10% no data no data
THF 109-99-9 90% 50ppm 590mg/m3

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Section 3: Hazards Identification
Harmful if swallowed. Inhalation may cause dizziness, headache and shortness of breath. Irritating to skin,
Emergency Overview:
eyes and respiratory tract. Possible risk of harm to the unborn child.
Primary Routes of Exposure: Inhalation, skin, eyes
Eye Contact: Causes moderate irritation to the eyes.
Skin Contact: Causes moderate to severe irritation of the skin.
Harmful by inhalation. May cause coughing, headache and drowsiness. Irritating to the nose, mucous
Inhalation:
membranes and respiratory tract.
Ingestion: Harmful if swallowed. THF can cause liver damage.
Inhalation of vapors causes drowsiness. May cause chest pains, coughing, dizziness, headache and
Acute Health Affects:
unsciousness. Possible risk of harm to the unborn child. Irritating to skin and eyes.
Tetrahydrofuran is an eye and mucous membrane irritant and can cause liver and kidney damage. Possible
Chronic Health Affects:
risk of irreversible 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: 1F (THF)
Autoignition Temperature: 610F (THF)
Explosion Limits: 1.8% (LEL) 11.8% (UEL)
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: Highly flammable material. Vapors can form explosive mixtures with air.

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SECTION 6: Accidental Release Measures
Eliminate all potential spark sources. Small spills can be absorbed into vermiculite or other chemical adsorbent
Spill and Leak Procedures:
suitable for flammable materials. Sweep up the mixture and dispose of properly.

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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: colorless to pale yellow liq.
Molecular Weight: 317.36
Melting Point: no data
Boiling Point: no data
Vapor Pressure: 160mm/Hg@25C(THF)
Specific Gravity: 0.89g/cm2 (THF)
Odor: ethereal
Solubility in Water: reacts with water

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SECTION 10: Stability and Reactivity
Stability: air sensitive
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: heat, ignition sources, contact with moisture
Incompatibility: water, oxidizing agents, halogens, air and mineral acids
Decomposition Products: carbon monoxide, carbon dioxide, nitrogen oxides, phosphorous oxides and organic fumes

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SECTION 11: Toxicological Information
Title compound: No information available in the RTECS files. THF: Inhalation(human); TCLo: 25000ppm.
Oral(rat); LD50: 1650mg/kg. Inhalation(rat); LC50: 21000ppm/3H. Intraperitoneal(rat); LD50: 2900mg/kg.
RTECS Data:
Inhalation(mouse); LCLo: 24000mg/m3/2H. Inhalation(rabbit); LC: >1200ppm/4H. Oral(guinea pig); LDLo:
500mg/kg. Inhalation(rat); TCLo: 1800ppm/6H/2Y-1.
Carcinogenic Effects: THF: Data available
Mutagenic Effects: THF: Possible mutagen
Tetratogenic Effects: THF: Possible reproductive effector

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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): Flammable liquids, N.O.S.
Hazard Class (CFR): 3
Additional Hazard Class (CFR): NA
Packaging Group (CFR): I
UN ID Number (CFR): UN# 1993
Shipping Name (IATA): Flammable liquid, N.O.S.
Hazard Class (IATA): 3
Additional Hazard Class (IATA): NA
Packaging Group (IATA): I
UN ID Number (IATA): UN# 1993

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SECTION 15: Regulatory Information
TSCA: Not listed in the TSCA inventory
SARA (Title 313): Not reportable under SARA 313.
Second Ingredient: Listed in the TSCA inventory. Not regulated under SARA

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SECTION 16 - ADDITIONAL INFORMATION
N/A

文献信息

• [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。
• 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).
• US8658825B2
  申请人：——

  公开号：US8658825B2

  公开（公告）日：2014-02-25
• [EN] METHOD FOR THE PREPARATION OF AMINOPHOSPHINE LIGANDS AND THEIR USE IN METAL CATALYSTS<br/>[FR] PROCÉDÉ D'OBTENTION DE LIGANDS DE TYPE AMINOPHOSPHINE ET LEUR UTILISATION COMME CATALYSEURS MÉTALLIQUES
  申请人：KANATA CHEMICAL TECHNOLOGIES I

  公开号：WO2008148202A1

  公开（公告）日：2008-12-11

  (EN) 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).(FR) La présente invention concerne (i) un procédé en deux opérations de synthèse de ligands phoshine-aminophosphine (P,N,P), (i) l'utilisation de tels ligands pour l'obtention de complexes métalliques tels que des catalyseurs d'oxygénation, et (iii) des ligands aminophosphine (P,N) et phosphine-aminophosphine (P,N,P) de structures diverses. Plus particulièrement, ce procédé en deux opérations de (i) consiste à faire réagir une amine tertiaire protégée de formule (1) avec un phosphure de métal représenté par la formule Y-PR8R9 pour l'obtention d'une aminophosphine de formule (II), laquelle est ensuite mise en réaction avec un phosphine de formule (III) pour l'obtention d'une phosphine-aminophosphine de formule (IV).