1-Hexadecanol
dihexadecyl hydrogen phosphate
Conditions | Yield |
---|---|
With trichlorophosphate at 80℃; | 11% |
With trichlorophosphate In benzene Heating; | |
With phosphorus pentoxide at 80℃; for 24h; | |
With trichlorophosphate |
chloroform
1-Hexadecanol
ethyl metaphosphate
A
ethyl phosphate
B
Diethyl phosphate
C
hexadecyl dihydrogen phosphate
D
dihexadecyl hydrogen phosphate
Conditions | Yield |
---|---|
Produkt 5: Aethylcetylaether (?); Produkt 6: Dicetylaether (?); |
Conditions | Yield |
---|---|
With chloroform |
1-Hexadecanol
O-phenyl phosphorodichloridate
dihexadecyl hydrogen phosphate
Conditions | Yield |
---|---|
With pyridine und Hydrieren des Reaktionsprodukts an Platin in Essigsaeure; |
bis(hexadecyl) phosphonate
dioctadecyl hydrogen phosphonate
ethyl hexadecyl phosphite
ethyl octadecyl phosphite
hexadecyl octadecyl phosphite
A
dihexadecyl hydrogen phosphate
B
di-n-octadecyl phosphate
C
phosphoric acid ethyl ester hexadecyl ester
D
ethyl octadecyl phosphate
E
hexadecyl octadecyl phosphate
Conditions | Yield |
---|---|
Stage #1: bis(hexadecyl) phosphonate; dioctadecyl hydrogen phosphonate; ethyl hexadecyl phosphite; ethyl octadecyl phosphite; hexadecyl octadecyl phosphite With sodium hypochlorite; sodium hydroxide at 35 - 60℃; pH=9 - 11.5; Stage #2: With sulfuric acid pH=2; |
dihexadecyl hydrogen phosphate
2,3,4,6-tetra-O-benzoyl-D-glucopyranose
Conditions | Yield |
---|---|
Stage #1: 2,3,4,6-tetra-O-benzoyl-D-glucopyranose With Dibenzothiophene sulfoxide; 2,4,6-tri-tertbutylpyridine; trifluoromethylsulfonic anhydride In dichloromethane at -45℃; for 1h; Substitution; Stage #2: dihexadecyl hydrogen phosphate In dichloromethane at -45 - 23℃; Substitution; Further stages.; | 90% |
dihexadecyl hydrogen phosphate
dicetylphosphate anhydride
Conditions | Yield |
---|---|
With pyridine at 20℃; for 3h; Inert atmosphere; | 90% |
With Triphenylsilyl chloride |
dihexadecyl hydrogen phosphate
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In dichloromethane at 25℃; for 16h; | 77% |
dihexadecyl hydrogen phosphate
2,3,4,6-tetra-O-benzoyl-D-galactose
Conditions | Yield |
---|---|
Stage #1: 2,3,4,6-tetra-O-benzoyl-D-galactose With Dibenzothiophene sulfoxide; 2,4,6-tri-tertbutylpyridine; trifluoromethylsulfonic anhydride In dichloromethane at -45℃; for 1h; Substitution; Stage #2: dihexadecyl hydrogen phosphate In dichloromethane at -45 - 23℃; Substitution; Further stages.; | 61% |
diazomethane
dihexadecyl hydrogen phosphate
Conditions | Yield |
---|---|
In diethyl ether; chloroform at 0 - 20℃; |
Conditions | Yield |
---|---|
With sodium hydroxide |
hexadecyl dihydrogen phosphate
dihexadecyl hydrogen phosphate
C23H24Cl2N2O
Conditions | Yield |
---|---|
In butan-1-ol at 120℃; |
dihexadecyl hydrogen phosphate
6′,6″-di(pyridin-2-yl)-2,2′:4′,4″:2″,2′′′-quaterpyridine
iron(II) acetate
Conditions | Yield |
---|---|
In chloroform; acetic acid Fe(OAc)2 was added to soln. ligand in AcOH, mixt. was evapd. under ambient pressure, dried under vac., phosphate was added, solid was dispersed in CHCl3, mixt. was stirred for 24 h at room temp.; mixt. was evapd. under ambient pressure, dried under vac.; |
Conditions | Yield |
---|---|
With pyridine |
Conditions | Yield |
---|---|
With pyridine |
The 1-Hexadecanol,1,1'-(hydrogen phosphate), with CAS registry number 2197-63-9, has the systematic name of dihexadecyl hydrogen phosphate. Besides this, it is also called Dicetyl phosphate. Its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C32H67O4P. What's more, this chemical should be stored at the temperature of −20°C.
Physical properties of 1-Hexadecanol,1,1'-(hydrogen phosphate): (1)ACD/LogP: 14.95; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 11.57; (4)ACD/LogD (pH 7.4): 11.46; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1349570.63; (8)ACD/KOC (pH 7.4): 1032270.38; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 32; (12)Polar Surface Area: 54.57 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 162.19 cm3; (15)Molar Volume: 591.1 cm3; (16)Polarizability: 64.3×10-24cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 0.925 g/cm3; (19)Flash Point: 316.9 °C; (20)Enthalpy of Vaporization: 97.59 kJ/mol; (21)Boiling Point: 600.4 °C at 760 mmHg; (22)Vapour Pressure: 5.8E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OCCCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCCCC)O
(2)InChI: InChI=1/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34)
(3)InChIKey: RNPXCFINMKSQPQ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34)
(5)Std. InChIKey: RNPXCFINMKSQPQ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD | intraperitoneal | > 500mg/kg (500mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 373, 1954. |
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