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Tris(4-aminophenyl) thiophosphate
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Name

Tris(4-aminophenyl) thiophosphate

 EINECS 258-083-6
CAS No. 52664-35-4 Density 1.421 g/cm3
PSA 147.65000 LogP 6.58870
Solubility N/A Melting Point 156 °C
Formula C18H18N3O3PS Boiling Point 597.922 °C at 760 mmHg
Molecular Weight 387.399 Flash Point 315.412 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 52664-35-4 (TRIS-(4-AMINOPHENYL)THIOPHOSPHATE) Hazard Symbols N/A
Synonyms

Phenol, 4-amino-, phosphorothioate (3:1) (ester) (9CI);Phosphorothioic acid, O,O,O-tris(p-aminophenyl) ester (7CI);Tris(4-aminophenyl) phosphorothioate;Phenol, p-amino-, O,O,O-triester with phosphorothioic acid (7CI);

Article Data 6

Tris(4-aminophenyl) thiophosphate Synthetic route

tris(N-boc-4-aminophenyl)thiophosphate

52664-35-4

tris(4-aminophenyl) thiophosphate

Conditions
ConditionsYield
With trifluoroacetic acid In dichloromethane for 4h;88%
123-30-8

4-amino-phenol

52664-35-4

tris(4-aminophenyl) thiophosphate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: tetrahydrofuran / 30 h
2: triethylamine; phosphorus trichloride / toluene / 24 h / 0 - 20 °C / Inert atmosphere
3: sulfur / 30 h / Inert atmosphere; Reflux
4: trifluoroacetic acid / dichloromethane / 4 h
View Scheme

C33H42N3O9P

52664-35-4

tris(4-aminophenyl) thiophosphate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sulfur / 30 h / Inert atmosphere; Reflux
2: trifluoroacetic acid / dichloromethane / 4 h
View Scheme
54840-15-2

4-N-tert-butoxycarbonylaminophenol

52664-35-4

tris(4-aminophenyl) thiophosphate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: triethylamine; phosphorus trichloride / toluene / 24 h / 0 - 20 °C / Inert atmosphere
2: sulfur / 30 h / Inert atmosphere; Reflux
3: trifluoroacetic acid / dichloromethane / 4 h
View Scheme
75144-41-1

tris(4-acetamidophenyl) thiophosphate

52664-35-4

tris(4-aminophenyl) thiophosphate

Conditions
ConditionsYield
With hydrogenchloride In dichloromethane at 45 - 85℃; for 6h;
1121-60-4

pyridine-2-carbaldehyde

iron(II) tetrafluoroborate

52664-35-4

tris(4-aminophenyl) thiophosphate

4Fe(2+)*8BF4(1-)*4C36H27N6O3PS

Conditions
ConditionsYield
In acetonitrile for 24h;

cobalt(II) tetrafluoroborate

1121-60-4

pyridine-2-carbaldehyde

52664-35-4

tris(4-aminophenyl) thiophosphate

8BF4(1-)*4C36H27N6O3PS*4Co(2+)

Conditions
ConditionsYield
In acetonitrile for 24h;

Tris(4-aminophenyl) thiophosphate Specification

The Tris(4-aminophenyl) thiophosphate, with the CAS registry number 52664-35-4, is also known as Phenol, p-amino-, O,O,O-triester with phosphorothioic acid (7CI). Its EINECS number is 258-083-6. This chemical's molecular formula is C18H18N3O3PS and molecular weight is 387.39. What's more, its systematic name is O,O,O-Tris(4-aminophenyl) phosphorothioate. 

Physical properties of Tris(4-aminophenyl) thiophosphate are: (1)ACD/LogP: 1.774; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 12.21; (6)ACD/BCF (pH 7.4): 13.12; (7)ACD/KOC (pH 5.5): 204.41; (8)ACD/KOC (pH 7.4): 219.65; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 147.65 Å2; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 107.64 cm3; (15)Molar Volume: 272.572 cm3; (16)Polarizability: 42.672×10-24cm3; (17)Surface Tension: 73.9 dyne/cm; (18)Density: 1.421 g/cm3; (19)Flash Point: 315.412 °C; (20)Enthalpy of Vaporization: 89.05 kJ/mol; (21)Boiling Point: 597.922 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=P(Oc1ccc(cc1)N)(Oc2ccc(N)cc2)Oc3ccc(N)cc3
(2)Std. InChI: InChI=1S/C18H18N3O3PS/c19-13-1-7-16(8-2-13)22-25(26,23-17-9-3-14(20)4-10-17)24-18-11-5-15(21)6-12-18/h1-12H,19-21H2
(3)Std. InChIKey: MBUAAMOJATXYKR-UHFFFAOYSA-N 

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