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| CAS No.: | 68957-94-8 |
|---|---|
| Name: | Propylphosphonic anhydride |
| Molecular Structure: | |
|
|
|
| Formula: | C9H21O6P3 |
| Molecular Weight: | 318.183 |
| Synonyms: | PPACA;Propanephosphonic acid cyclic anhydride;Propylphosphonic anhydride;T 3p;n-Propylphosphonic cyclic anhydride; |
| EINECS: | 422-210-5 |
| Density: | 1.247 g/cm3 |
| Boiling Point: | 353.012 °C at 760 mmHg |
| Flash Point: | 180.976 °C |
| Solubility: | 9.6g/L at 25℃ |
| Appearance: | Clear light yellow solution |
| Hazard Symbols: |
 F, C
|
| Risk Codes: | 11-34-66-67 |
| Safety: | 16-26-33-36/37/39-45 |
| PSA: | 108.33000 |
| LogP: | 4.85910 |
propylphosphonic dichloride
2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide
| Conditions | Yield |
|---|---|
| With water 1) 1 h, 2) 3 h, 80 deg C, 17 Torr, 3) 3 h, 80 deg C, 5 Torr; | 100% |
propanephosphonic acid dimethyl ester
2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide
| Conditions | Yield |
|---|---|
| With acetic anhydride; 1-ethyl-3-methylimidazolium tetrafluoroborate at 45℃; for 4.5h; Temperature; Reflux; | 95.14% |
propylphosphonic dichloride
propylphosphonic anhydride
2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide
| Conditions | Yield |
|---|---|
| In toluene at 90℃; for 8h; Concentration; Temperature; Inert atmosphere; | 82.93% |
propylphosphonic acid
2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide
| Conditions | Yield |
|---|---|
| Stage #1: propylphosphonic acid With acetic anhydride for 2h; Heating / reflux; Stage #2: at 350℃; under 0.0750075 - 75.0075 Torr; | 80% |
| Stage #1: propylphosphonic acid With acetic anhydride for 24h; Reflux; Inert atmosphere; Stage #2: at 300℃; under 0.225023 Torr; Inert atmosphere; | 72% |
| With thionyl chloride In toluene at 80℃; for 3.25h; Product distribution / selectivity; Reflux; |
propylphosphonic dichloride
diethyl propylphosphonate
2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide
| Conditions | Yield |
|---|---|
| at 115 - 260℃; for 3h; Temperature; | 69% |
4-(6-methyl-pyridazin-3-yl)-benzylamine
4-(4'-trifluoromethyl-biphenyl-2-carbonylamino)-1-methyl-imidazol-2-carboxylic acid
2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide
N-[4-(6-methyl-pyridazin-3-yl)-phenylmethyl]-4-(4'-trifluoro-methylbiphenyl-2-carbonylamino)-1-methyl-imidazole-2-carboxylic acid amide
| Conditions | Yield |
|---|---|
| With 4-methyl-morpholine In dichloromethane | 96% |
| With 4-methyl-morpholine In dichloromethane | 96% |
[4-(1H-imidazol-2-yl)phenyl]methanamine
2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide
N-[4-(1H-imidazol-2-yl)-phenylmethyl]-3-(biphenyl-2-carbonylamino)-benzoic acid amide-hydrochloride
| Conditions | Yield |
|---|---|
| With 4-methyl-morpholine In dichloromethane | 96% |
3-({[4'-(trifluoromethyl)-1,1'-biphenyl-2-yl]carbonyl}amino)benzoic acid
2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide
benzyl-methyl-amine
N-phenylmethyl-N-methyl-3-(4'-trifluoromethylbiphenyl-2-carbonylamino)-benzoic acid amide
| Conditions | Yield |
|---|---|
| With 4-methyl-morpholine In dichloromethane | 95% |
2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide
1-t-Butoxycarbonylpiperazine
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran; diethyl ether; water; ethyl acetate | 95% |
4-(4'-trifluoromethyl-biphenyl-2-carbonylamino)-1-methyl-imidazol-2-carboxylic acid
2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide
4-(pyridin-4-yl)-benzylamine
N-[4-(pyridin-4-yl)-phenylmethyl]-4-(4'-trifluoromethylbiphenyl-2-carbonylamino)-1-methyl-imidazole-2-carboxylic acid amide
| Conditions | Yield |
|---|---|
| With 4-methyl-morpholine In dichloromethane | 94% |
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IUPAC Name: 1,3,5-tripropyl-2,4,6-trioxa-1λ5,3λ5,5λ5-triphosphacyclohexane 1,3,5-trioxide
Empirical Formula: C9H21O6P3
Molecular Weight: 318.1807
EINECS: 422-210-5
Structure of 1,3,5,2,4,6-Trioxatriphosphorinane,2,4,6-tripropyl-, 2,4,6-trioxide (CAS NO.68957-94-8):
Index of Refraction: 1.438
Molar Refractivity: 67.11 cm3
Molar Volume: 255.2 cm3
Polarizability: 26.6×10-24cm3
Surface Tension: 38.5 dyne/cm
Density: 1.24 g/cm3
Flash Point: 181 °C
Enthalpy of Vaporization: 57.43 kJ/mol
Boiling Point: 353 °C at 760 mmHg
Vapour Pressure: 7.51E-05 mmHg at 25°C
Storage temp: Flammables area
Sensitive: Moisture Sensitive
Canonical SMILES: CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC
InChI: InChI=1S/C9H21O6P3/c1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3/h4-9H2,1-3H3
InChIKey: PAQZWJGSJMLPMG-UHFFFAOYSA-N
Hazard Codes: 
T,
C,
F
Risk Statements: 61-20/21-34-67-66-11
R61:May cause harm to the unborn child.
R20/21:Harmful by inhalation and in contact with skin.
R34:Causes burns.
R67:Vapours may cause drowsiness and dizziness.
R66:Repeated exposure may cause skin dryness or cracking.
R11:Highly flammable.
Safety Statements: 53-26-36/37/39-45-33-16
S53:Avoid exposure - obtain special instructions before use.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S33:Take precautionary measures against static discharges.
S16:Keep away from sources of ignition.
RIDADR: UN 2924 3/PG 3
WGK Germany: 1
F: 21
HazardClass: 8
PackingGroup: II
1,3,5,2,4,6-Trioxatriphosphorinane,2,4,6-tripropyl-, 2,4,6-trioxide , its cas register number is 68957-94-8. It also can be called 1-Propanephosphonic acid cyclic anhydride ; 2,4,6-Tripropyl-1,3,5,2,4,6-trioxatriphosphinane 2,4,6-trioxide . 1,3,5,2,4,6-Trioxatriphosphorinane,2,4,6-tripropyl-, 2,4,6-trioxide (CAS NO.68957-94-8) is a clear light yellow solution.
