CAS No.52664-35-4,TRIS-(4-AMINOPHENYL)THIOPHOSPHATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52664-35-4
Name:	TRIS-(4-AMINOPHENYL)THIOPHOSPHATE
Article Data:	6

Formula:	C₁₈H₁₈N₃O₃PS
Molecular Weight:	387.399
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);
EINECS:	258-083-6
Density:	1.421 g/cm³
Melting Point:	156 °C
Boiling Point:	597.922 °C at 760 mmHg
Flash Point:	315.412 °C
PSA:	147.65000
LogP:	6.58870

Synthetic route

: tris(N-boc-4-aminophenyl)thiophosphate

: 52664-35-4
tris(4-aminophenyl) thiophosphate

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane for 4h;	88%

: 123-30-8
4-amino-phenol

: 52664-35-4
tris(4-aminophenyl) thiophosphate

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
In acetonitrile for 24h;

...Expand

: cobalt(II) tetrafluoroborate

: 1121-60-4
pyridine-2-carbaldehyde

: 52664-35-4
tris(4-aminophenyl) thiophosphate

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

Conditions

Conditions	Yield
In acetonitrile for 24h;

...Expand

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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