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CAS No.: | 3084-40-0 |
---|---|
Name: | Diethyl (hydroxymethyl)phosphonate |
Article Data: | 54 |
Molecular Structure: | |
Formula: | C5H13 O4 P |
Molecular Weight: | 168.13 |
Synonyms: | Phosphonicacid, (hydroxymethyl)-, diethyl ester (6CI,7CI,8CI,9CI);(Hydroxymethyl)phosphonate diethyl ester;Diethyl (hydroxymethyl)phosphonate;Diethyl phosphonomethanol; |
EINECS: | 221-391-6 |
Density: | 1.14 |
Boiling Point: | 124-126 ºC (3 mmHg) |
Flash Point: | 98.7°C |
Solubility: | 500g/L at 20℃ |
Appearance: | Clear colorless to yellow viscous liquid |
Hazard Symbols: | |
Risk Codes: | R36/37/38 |
Safety: | S26;S37/39 |
PSA: | 65.57000 |
LogP: | 1.20230 |
formaldehyd
phosphonic acid diethyl ester
diethyl (1-hydroxymethyl)phosphonate
Conditions | Yield |
---|---|
With triethylamine at 90℃; for 3h; Reflux; | 96% |
With potassium carbonate In ethanol at 75℃; for 5h; | 95% |
With potassium carbonate In toluene at 60℃; for 2.25h; pH=7.5 - 8; | 95% |
Conditions | Yield |
---|---|
With sodium ethanolate In ethanol | 90% |
formaldehyd
Diethyl phosphonate
diethyl (1-hydroxymethyl)phosphonate
Conditions | Yield |
---|---|
triethylamine Ambient temperature; | 85.5% |
With triethylamine at 90℃; for 12h; | 60% |
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In dichloromethane; water for 1h; Ambient temperature; | 53% |
With triethylamine In toluene at 70℃; for 2h; |
N-methoxypyridinium p-toluenesulfonate
phosphonic acid diethyl ester
A
diethyl (1-hydroxymethyl)phosphonate
B
diethyl pyridin-2-yl-2-phosphonate
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile for 0.0833333h; | A 20% B 74% |
Diethyl phosphonate
diethyl (1-hydroxymethyl)phosphonate
Conditions | Yield |
---|---|
With nitrogen; triethylamine; paraformaldehyde | 60% |
With nitrogen; triethylamine; paraformaldehyde | 60% |
With triethylamine; paraformaldehyde | 57.5 g (68%) |
formaldehyd
4-methoxy-aniline
triethyl phosphite
A
diethyl (1-hydroxymethyl)phosphonate
B
diethyl ester of p-N-methoxyphenylaminomethylphosphonic acid
Conditions | Yield |
---|---|
In xylene at 120℃; for 1h; | A 16% B 55% C 5.5% |
trioxa-4,10,16-triaza-1,7,13-cyclooctadecane
formaldehyd
phosphonic acid diethyl ester
A
diethyl (1-hydroxymethyl)phosphonate
Conditions | Yield |
---|---|
With triethylamine In benzene Alkylation; Mannich reaction; substitution; Heating; | A n/a B 37% |
formaldehyd
p-aminoethylbenzoate
A
diethyl (1-hydroxymethyl)phosphonate
B
p-N,N-diethylaminobenzoic acid ethyl ester
C
diethyl 4,4′-(methylenebis(azanediyl))dibenzoate
D
Diethyl (p-ethoxycarbonylphenylaminomethyl)phosphonate
Conditions | Yield |
---|---|
With triethyl phosphite In toluene at 110 - 120℃; for 6.5h; | A 32.8% B n/a C 24.4% D 23.8% |
formaldehyd
p-aminoethylbenzoate
triethyl phosphite
A
diethyl (1-hydroxymethyl)phosphonate
B
p-N,N-diethylaminobenzoic acid ethyl ester
C
diethyl 4,4′-(methylenebis(azanediyl))dibenzoate
D
Diethyl (p-ethoxycarbonylphenylaminomethyl)phosphonate
Conditions | Yield |
---|---|
In toluene at 110 - 120℃; for 6.5h; | A 32.8% B n/a C 24.4% D 23.8% |
Conditions | Yield |
---|---|
With 2-methoxy-phenylamine |
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Molecule structure of Phosphonic acid,P-(hydroxymethyl)-, diethyl ester (CAS NO.3084-40-0):
IUPAC Name: Diethoxyphosphorylmethanol
Molecular Weight: 168.128081 [g/mol]
Molecular Formula: C5H13O4P
Index of Refraction: 1.423
Molar Refractivity: 37.11 cm3
Molar Volume: 145.4 cm3
Surface Tension: 37.2 dyne/cm
Density: 1.155 g/cm3
Flash Point: 98.7 °C
Enthalpy of Vaporization: 55.37 kJ/mol
Boiling Point: 239.5 °C at 760 mmHg
Vapour Pressure: 0.00699 mmHg at 25 °C
XLogP3-AA: -0.4
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 5
Exact Mass: 168.055145
MonoIsotopic Mass: 168.055145
Topological Polar Surface Area: 55.8
Heavy Atom Count: 10
Canonical SMILES: CCOP(=O)(CO)OCC
InChI: InChI=1S/C5H13O4P/c1-3-8-10(7,5-6)9-4-2/h6H,3-5H2,1-2H3
InChIKey: RWIGWWBLTJLKMK-UHFFFAOYSA-N
EINECS: 221-391-6
Product Categories of Phosphonic acid,P-(hydroxymethyl)-, diethyl ester (CAS NO.3084-40-0): C-C Bond Formation; Horner-Wadsworth-Emmons Reagents; Olefination
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26-36
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Phosphonic acid,P-(hydroxymethyl)-, diethyl ester (CAS NO.3084-40-0) is also named as (Hydroxymethyl)phosphonic acid, diethyl ester ; Diethyl (hydroxymethyl phosphonate ; Phosphonic acid, (hydroxymethyl)-, diethyl ester ; Hydroxymethyldiethylphosphonate .