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| CAS No.: | 855-38-9 |
|---|---|
| Name: | TRIS(4-METHOXYPHENYL)PHOSPHINE |
| Molecular Structure: | |
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|
|
| Formula: | C21H21O3P |
| Molecular Weight: | 352.37 |
| Synonyms: | Phosphine,tris(p-methoxyphenyl)- (6CI,7CI,8CI);NSC 136458;TPAP;Tri(p-methoxyphenyl)phosphine;Tri-p-anisylphosphine;Trianisylphosphine;Tris(p-anisyl)phosphine;Tris(p-methoxyphenyl)phosphine; |
| EINECS: | 212-723-0 |
| Density: | 131-134 °C(lit.) |
| Melting Point: | 131-134°C(lit.) |
| Boiling Point: | 457.8 °C at 760 mmHg |
| Flash Point: | 287.3 °C |
| Solubility: | Insoluble in water. |
| Appearance: | White to pale yellow crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 41.28000 |
| LogP: | 3.47060 |
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| Conditions | Yield |
|---|---|
| With chloro-trimethyl-silane; tetrabutylammomium bromide; copper; zinc In acetonitrile at 45℃; Electrochemical reaction; Inert atmosphere; | 93% |
| With chloro-trimethyl-silane; magnesium at 20℃; for 2h; | 93% |
| With oxalyl dichloride; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; triethylamine In dichloromethane at 40℃; for 2h; Inert atmosphere; | 83% |
| Conditions | Yield |
|---|---|
| With phosphorus trichloride | 89% |
| Stage #1: 1-bromo-4-methoxy-benzene With magnesium In tetrahydrofuran at 42 - 55℃; for 2h; Stage #2: With phosphorus trichloride In tetrahydrofuran at 25 - 85℃; for 3.5h; Stage #3: With hydrogenchloride In tetrahydrofuran; water for 1.5h; | 75.62% |
| Stage #1: 1-bromo-4-methoxy-benzene With n-butyllithium In tetrahydrofuran; hexane at -50℃; for 0.5h; Inert atmosphere; Stage #2: With phosphorus trichloride In tetrahydrofuran; hexane at -50 - -10℃; Inert atmosphere; | 55% |
- 82303-13-7
(4-methoxyphenyl)zinc(II) bromide
- 855-38-9
P(p-CH3OC6H4)3
| Conditions | Yield |
|---|---|
| With phosphorus trichloride In acetonitrile at 20℃; for 2h; | 45% |
- 13139-86-1
4-methoxyphenyl magnesium bromide
- 855-38-9
P(p-CH3OC6H4)3
| Conditions | Yield |
|---|---|
| With diethyl ether; hydrogen; phosphorus trichloride |
- 14774-77-7
p-methoxyphenyllithium
- 855-38-9
P(p-CH3OC6H4)3
| Conditions | Yield |
|---|---|
| With phosphorus trichloride at -20℃; Yield given; |
- 119854-20-5
(2-quinaldinate)(carbonyl)(P(4-CH3O-C5H4)3)2rhodium(I)
- 119882-07-4
(2-quinaldinate)(carbonyl)(P(4-CH3O-C5H4)3)rhodium(I)
B
- 855-38-9
P(p-CH3OC6H4)3
| Conditions | Yield |
|---|---|
| In not given 24 h; |
| Conditions | Yield |
|---|---|
| In dichloromethane at 20℃; |
| Conditions | Yield |
|---|---|
| In dichloromethane at 20℃; |
| Conditions | Yield |
|---|---|
| In dichloromethane at 20℃; |
| Conditions | Yield |
|---|---|
| In dichloromethane at 20℃; |
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Specification
The Phosphine,tris(4-methoxyphenyl)-, with the CAS registry number 855-38-9 and EINECS registry number 212-723-0, has the systematic name of tris(4-methoxyphenyl)phosphane. It is a kind of white to pale yellow crystalline powder, and belongs to the following product categories: Ligand; Phosphine Ligands; Synthetic Organic Chemistry; Basic Phosphine Ligands Catalysis and Inorganic Chemistry; Catalysis and Inorganic Chemistry; Cross-Coupling; Phosphine Ligands; Phosphorus Compounds. And the molecular formula of the chemical is C21H21O3P.
The characteristics of Phosphine,tris(4-methoxyphenyl)- are as followings: (1)ACD/LogP: 5.44; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.44; (4)ACD/LogD (pH 7.4): 5.44; (5)ACD/BCF (pH 5.5): 7969.69; (6)ACD/BCF (pH 7.4): 7969.69; (7)ACD/KOC (pH 5.5): 21589.49; (8)ACD/KOC (pH 7.4): 21589.49; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 41.28 Å2; (13)Flash Point: 287.3 °C; (14)Enthalpy of Vaporization: 69.05 kJ/mol; (15)Boiling Point: 457.8 °C at 760 mmHg; (16)Vapour Pressure: 3.93E-08 mmHg at 25°C.
Uses of Phosphine,tris(4-methoxyphenyl)-: It can react with iodomethane to produce Methyl-tris-(4-methoxy-phenyl)-phosphoniumjodid. And the yield is about 93%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c3ccc(P(c1ccc(OC)cc1)c2ccc(OC)cc2)cc3)C
(2)InChI: InChI=1/C21H21O3P/c1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21/h4-15H,1-3H3
(3)InChIKey: UYUUAUOYLFIRJG-UHFFFAOYAD