Products Categories
CAS No.: | 65094-22-6 |
---|---|
Name: | Diethyl bromodifluoromethanephosphonate |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C5H10BrF2O3P |
Molecular Weight: | 267.007 |
Synonyms: | Phosphonicacid, (bromodifluoromethyl)-, diethyl ester (9CI);(Bromodifluoromethyl)phosphonic acid diethyl ester;Diethylbromodifluoromethylphosphonate; |
Density: | 1.551 g/cm3 |
Boiling Point: | 195.7 °C at 760 mmHg |
Flash Point: | 72.2 °C |
Solubility: | Not miscible or difficult to mix in water. |
Hazard Symbols: | Xi |
Risk Codes: | 21/22-36/38 |
Safety: | 26-36/37/39 |
PSA: | 45.34000 |
LogP: | 3.19770 |
dibromodifluoromethane
triethyl phosphite
diethyl (bromodifluoromethyl)phosphonate
Conditions | Yield |
---|---|
In tetrahydrofuran at 60℃; for 0.5h; | 96% |
In diethyl ether for 24h; Heating; | 96% |
In diethyl ether for 20h; Heating / reflux; | 96% |
O,O-diethyl 1,1-difluoro-1-bromomethane phosphonothioate
diethyl (bromodifluoromethyl)phosphonate
Conditions | Yield |
---|---|
With perfluoro-cis-2-n-hexyl-3-n-pentyloxaziridine In various solvent(s) for 0.0833333h; Ambient temperature; further reagent; | 96% |
(bromodifluormethyl)triphenylphosphonium bromide
triethyl phosphite
diethyl (bromodifluoromethyl)phosphonate
Conditions | Yield |
---|---|
In dichloromethane for 0.166667h; Ambient temperature; | 92% |
(bromodifluormethyl)triphenylphosphonium bromide
triethyl phosphite
A
ethyl bromide
B
diethyl (bromodifluoromethyl)phosphonate
C
triphenylphosphine
Conditions | Yield |
---|---|
In dichloromethane for 0.166667h; Product distribution; Mechanism; Ambient temperature; | A n/a B 92% C 65% |
(bromodifluormethyl)triphenylphosphonium bromide
triethyl phosphite
A
diethyl (bromodifluoromethyl)phosphonate
B
triphenylphosphine
Conditions | Yield |
---|---|
In dichloromethane at 20℃; | A 67% B n/a |
Conditions | Yield |
---|---|
at 120℃; under 3811.31 Torr; for 240h; Michaelis-Arbuzov reaction; Autoclave; | 20% |
diethyl (bromodifluoromethyl)phosphonate
tert-butyl (E)-3-iodobut-2-enoate
tert-butyl (E)-3-(diethylphosphonodifluoromethyl)but-2-enoate
Conditions | Yield |
---|---|
Stage #1: diethyl (bromodifluoromethyl)phosphonate With zinc In N,N-dimethyl-formamide at 20℃; for 3h; Metallation; Stage #2: tert-butyl (E)-3-iodobut-2-enoate With copper(I) bromide In N,N-dimethyl-formamide at 20℃; for 3h; Alkylation; cross-coupling; Further stages.; | 99.4% |
diethyl (bromodifluoromethyl)phosphonate
Conditions | Yield |
---|---|
With potassium hydroxide In water; acetonitrile at -78 - 20℃; | 99% |
diethyl (bromodifluoromethyl)phosphonate
triethylamine
Conditions | Yield |
---|---|
With methanol; cesium fluoride In dichloromethane at 25℃; for 3h; Inert atmosphere; Sealed tube; chemoselective reaction; | 99% |
diethyl (bromodifluoromethyl)phosphonate
<(Ethinyl)(isopropyl)methyl>-p-toluolsulfonat
(1,1-difluoro-5-methyl-hexa-2,3-dienyl)-phosphonic acid diethyl ester
Conditions | Yield |
---|---|
Stage #1: diethyl (bromodifluoromethyl)phosphonate With copper(I) bromide; zinc In N,N-dimethyl-formamide Stage #2: <(Ethinyl)(isopropyl)methyl>-p-toluolsulfonat With copper(I) bromide In N,N-dimethyl-formamide at 20℃; for 12h; | 98% |
What can I do for you?
Get Best Price
Molecule structure of Phosphonic acid,P-(bromodifluoromethyl)-, diethyl ester (CAS NO.65094-22-6):
IUPAC Name: 1-[[Bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane
Molecular Weight: 267.005667 [g/mol]
Molecular Formula: C5H10BrF2O3P
Index of Refraction: 1.42
Molar Refractivity: 43.6 cm3
Molar Volume: 172 cm3
Surface Tension: 31.8 dyne/cm
Density: 1.551 g/cm3
Flash Point: 72.2 °C
Enthalpy of Vaporization: 41.42 kJ/mol
Boiling Point: 195.7 °C at 760 mmHg
Vapour Pressure: 0.58 mmHg at 25 °C
XLogP3-AA: 1.8
H-Bond Acceptor: 5
Rotatable Bond Count: 5
Exact Mass: 265.9519
MonoIsotopic Mass: 265.9519
Topological Polar Surface Area: 35.5
Heavy Atom Count: 12
Canonical SMILES: CCOP(=O)(C(F)(F)Br)OCC
InChI: InChI=1S/C5H10BrF2O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3
InChIKey: QRADKVYIJIAENZ-UHFFFAOYSA-N
Product Categories Phosphonic acid,P-(bromodifluoromethyl)-, diethyl ester (CAS NO.65094-22-6): C-C Bond Formation; Horner-Wadsworth-Emmons Reagents; Olefination
Hazard Codes: Xi
Risk Statements: 21/22-36/38
R21/22:Harmful in contact with skin and if swallowed.
R36/38:Irritating to eyes and skin.
Safety Statements: 26-36/37/39
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.
RIDADR: 3278
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT, IRRITANT-HARMFUL
PackingGroup: III
Phosphonic acid,P-(bromodifluoromethyl)-, diethyl ester (CAS NO.65094-22-6) is also called Bromodifluoromethyl diethylphosphonate ; Diethyl bromodifluoromethanephosphonate ; Diethyl [bromo(difluoro)methyl]phosphonate .