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1038-95-5

1038-95-5 Structure

1038-95-5 Structure
IdentificationMore
[Name]

TRI-P-TOLYLPHOSPHINE
[CAS]

1038-95-5
[Synonyms]

AURORA KA-1142
LABOTEST-BB LTBB005429
PHOSPHORUS TRI-P-TOLYL
TRI-4-TOLYLPHOSPHINE
TRI-P-TOLYLPHOSPHINE
TRIS(4-METHYLPHENYL)PHOSPHINE
TRIS(4-TOLYL)PHOSPHINE
TRIS(P-TOLYL)PHOSPHINE
Phosphine, tri-p-tolyl-
Phosphine, tris(p-tolyl)-
tri-(4-Methylphenyl)phosphine
Tri-para-tolylphosphine
tris(4-methylphenyl)-phosphin
Tris(p-methylphenyl)phosphine
tris(p-tolyl)-phosphin
Tri-p-tolyphosphine
Tris(p-tolyl)phosphine, 98+%
Tri-p-tolylphosphine,98%
TRI-P-TOYL PHOSPHINE
TRIS(P-TOLYL)PHOSPHINE (TPTP)
[EINECS(EC#)]

213-863-5
[Molecular Formula]

C21H21P
[MDL Number]

MFCD00008542
[Molecular Weight]

304.37
[MOL File]

1038-95-5.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powde
[Melting point ]

144-148 °C(lit.)
[Boiling point ]

399.8±41.0 °C(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Crystals or Crystalline Powder
[color ]

White to light yellow
[Water Solubility ]

Insoluble in water.
[Sensitive ]

Air Sensitive
[Detection Methods]

HPLC,NMR
[BRN ]

651045
[InChI]

InChI=1S/C21H21P/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
[InChIKey]

WXAZIUYTQHYBFW-UHFFFAOYSA-N
[SMILES]

P(C1=CC=C(C)C=C1)(C1=CC=C(C)C=C1)C1=CC=C(C)C=C1
[CAS DataBase Reference]

1038-95-5(CAS DataBase Reference)
[Storage Precautions]

Air sensitive
[EPA Substance Registry System]

Phosphine, tris(4-methylphenyl)- (1038-95-5)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

SZ3880000
[F ]

10-23
[TSCA ]

Yes
[HS Code ]

29319090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Hydrochloric acid-->Ethyl acetate-->Tetrahydrofuran-->Dichloromethane-->PETROLEUM ETHER-->Magnesium-->Phosphorus trichloride-->4-Bromotoluene-->5-Bromo-m-xylene
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powde
[Uses]

suzuki reaction
[Application]

Tri-p-tolylphosphine is commonly used in pharmaceutical manufacturing as a ligand in catalysis, particularly in palladium-catalyzed cross-coupling reactions. These reactions are crucial for forming carbon-carbon bonds in drug synthesis.
[reaction suitability]

reaction type: Buchwald-Hartwig Cross Coupling Reaction
reaction type: Heck Reaction
reaction type: Hiyama Coupling
reaction type: Negishi Coupling
reaction type: Sonogashira Coupling
reaction type: Stille Coupling
reaction type: Suzuki-Miyaura Coupling
reagent type: ligand
reaction type: Cross Couplings
[Synthesis]

20 g Sodium (0.870 mol) was added to 125 ml toluene, then the mixture was heated up to 383 K and stirred to form fine particles of sodium, which subsequently melted. Then the temperature was lowered to 323 K. P-chlorotoluene (55.2 g /0.436 mol) and phosphorus trichloride (19.8 g / 0.144 mol) were added, keeping the temperature between 323 K and 333 K for two hours. The product was concentrated in a vacuum to gain a white solid (35.0 g, 80%) (Brown et al., 1988). The pure title compound (TRI-P-TOLYLPHOSPHINE) was obtained by crystallizing from methanol.[1]
[References]

[1] Tri-p-tolyl­phosphine. Crystallographic Communications. August 2008 64(Pt 9):o1783-o1783
Spectrum DetailBack Directory
[Spectrum Detail]

TRI-P-TOLYLPHOSPHINE(1038-95-5)MS
TRI-P-TOLYLPHOSPHINE(1038-95-5)1HNMR
TRI-P-TOLYLPHOSPHINE(1038-95-5)13CNMR
TRI-P-TOLYLPHOSPHINE(1038-95-5)IR1
TRI-P-TOLYLPHOSPHINE(1038-95-5)IR2
TRI-P-TOLYLPHOSPHINE(1038-95-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Tri-p-tolylphosphine, 95%(1038-95-5)
[Alfa Aesar]

Tri(p-tolyl)phosphine, 98%(1038-95-5)
[Sigma Aldrich]

1038-95-5(sigmaaldrich)
[TCI AMERICA]

Tris(4-methylphenyl)phosphine,>95.0%(GC)(T)(1038-95-5)
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