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CAS No.: | 6163-58-2 |
---|---|
Name: | TRI-O-TOLYLPHOSPHINE |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C21H21P |
Molecular Weight: | 304.371 |
Synonyms: | Phosphine,tri-o-tolyl- (7CI,8CI);NSC 116667;Tri-2-tolylphosphine;Tri-o-tolylphosphine;Tris(2-toluene)phosphine;Tris(2-tolyl)phosphine;Tris(o-methylphenyl)phosphine;Tris(o-tolyl)phosphine;Tri-(O-Tol)phosphine; |
EINECS: | 228-193-9 |
Density: | 1.16[at 20℃] |
Melting Point: | 123-125 °C(lit.) |
Boiling Point: | 412.4 °C at 760 mmHg |
Flash Point: | 214.6 °C |
Solubility: | Soluble in alcohol. Slightly soluble in cold water. Insoluble in water. |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 13.59000 |
LogP: | 4.37000 |
ethanol
tris(2-tolyl)phosphane-borane(1:1)
A
triethyl borate
B
tris-(o-tolyl)phosphine
Conditions | Yield |
---|---|
Inert atmosphere; Reflux; | A n/a B 96% |
Conditions | Yield |
---|---|
Stage #1: 2-methylphenyl bromide With magnesium In tetrahydrofuran Reflux; Inert atmosphere; Stage #2: With phosphorus trichloride In tetrahydrofuran for 24h; Inert atmosphere; | 89% |
Stage #1: 2-methylphenyl bromide With magnesium In tetrahydrofuran at 20℃; for 0.666667h; Stage #2: With phosphorus trichloride In tetrahydrofuran for 1.5h; | 85% |
Stage #1: 2-methylphenyl bromide With iodine; magnesium In tetrahydrofuran at 20℃; for 2.5h; Schlenk technique; Inert atmosphere; Stage #2: With phosphorus trichloride In tetrahydrofuran at -40℃; for 0.5h; Stage #3: In tetrahydrofuran; ethanol for 5h; | 75% |
Conditions | Yield |
---|---|
With chloro-trimethyl-silane; magnesium at 20℃; for 4h; | 89% |
With aluminum (III) chloride; N,N,N,N,-tetramethylethylenediamine; tetrabutyl-ammonium chloride; tert-butylammonium hexafluorophosphate(V) In acetonitrile at 60℃; Inert atmosphere; Glovebox; Electrolysis; | 69% |
With chloro-trimethyl-silane; tetrabutylammomium bromide; copper; zinc In acetonitrile at 45℃; Electrochemical reaction; Inert atmosphere; | 58% |
With oxalyl dichloride; hydrogen In chloroform-d1 at 130℃; under 60006 Torr; for 18h; Reagent/catalyst; | 51% |
Conditions | Yield |
---|---|
With white phosphorus; 1,3-dicyano-5-fluoro-2,4,6-tris(diphenylamino)benzene; triethylamine In acetonitrile; benzene for 24h; Inert atmosphere; Glovebox; Sealed tube; Irradiation; | 43% |
potassium diphenylphosphine
B
tris-(o-tolyl)phosphine
Conditions | Yield |
---|---|
Stage #1: di-m-acetato-bis{2-(diortho-tolylphosphino)benzyl-C,P}dipalladium(II); potassium diphenylphosphine In tetrahydrofuran at 20℃; for 48h; Stage #2: With air | A 2% B 30% |
di-m-chloro-bis{2-(di-ortho-tolylphosphino)benzyl-C,P}dipalladium(II)
potassium diphenylphosphine
B
tris-(o-tolyl)phosphine
Conditions | Yield |
---|---|
Stage #1: di-m-chloro-bis{2-(di-ortho-tolylphosphino)benzyl-C,P}dipalladium(II); potassium diphenylphosphine In tetrahydrofuran at 20℃; for 48h; Schlenk technique; Inert atmosphere; Stage #2: With air In tetrahydrofuran for 48h; Schlenk technique; | A 20% B 2% |
Conditions | Yield |
---|---|
With 1-methyl-pyrrolidin-2-one; potassium hydroxide monohydrate; phosphorus at 100 - 120℃; for 1h; Reagent/catalyst; Temperature; Inert atmosphere; | 19% |
Conditions | Yield |
---|---|
With diethyl ether; hydrogen; phosphorus trichloride |
B
tris-(o-tolyl)phosphine
Conditions | Yield |
---|---|
In chloroform Irradiation (UV/VIS); decompn. at room temp. within minutes; |
B
tris-(o-tolyl)phosphine
Conditions | Yield |
---|---|
In chloroform Irradiation (UV/VIS); decompn. at room temp. within minutes; |
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The CAS register number of Tris(2-methylphenyl)phosphine is 6163-58-2. It also can be called as Phosphine,tris(2-methylphenyl)- and the IUPAC name about this chemical is tris(2-methylphenyl)phosphane. The molecular formula about this chemical is C21H21P and the molecular weight is 304.37. It belongs to the following product categories, such as Ligand; Phosphine Ligands; Synthetic Organic Chemistry; Benzenes and so on. This chemical is usually used as a ligand for the coupling reaction.
Physical properties about Tris(2-methylphenyl)phosphine are: (1)ACD/LogP: 7.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.07; (4)ACD/LogD (pH 7.4): 7.07; (5)ACD/BCF (pH 5.5): 139115.45; (6)ACD/BCF (pH 7.4): 139115.45; (7)ACD/KOC (pH 5.5): 167188.17; (8)ACD/KOC (pH 7.4): 167188.17; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 13.59Å2; (11)Flash Point: 214.6 °C; (12)Enthalpy of Vaporization: 63.92 kJ/mol; (13)Boiling Point: 412.4 °C at 760 mmHg; (14)Vapour Pressure: 1.24E-06 mmHg at 25°C.
Uses of p-Chloropropiophenone: it can be used to produce Tri-ortho-phosphinselenid at heating. This reaction will need reagent selenium black and solvent toluene with reaction time of 6 hours. The yield is about 100%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c3(c(P(c1ccccc1C)c2ccccc2C)cccc3)C
(2)InChI: InChI=1/C21H21P/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h4-15H,1-3H3
(3)InChIKey: COIOYMYWGDAQPM-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C21H21P/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h4-15H,1-3H3
(5)Std. InChIKey: COIOYMYWGDAQPM-UHFFFAOYSA-N