Reaction #698614

ord-8d8bd45935f94b219014f78a8d4fcf90

Reaction equation

O=P([O-])([O-])O.[K+].[K+]
K2HPO4
O=C([O-])[O-].[K+].[K+]
K2CO3
O.O.O.O.O.O.O.O.O.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
sodium pyrophosphate decahydrate
O=P([O-])([O-])OC1C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C1OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
sodium phytate
[F-].[Na+]
sodium fluoride
CCO.O=[PH]([O-])O[PH](=O)[O-].[Na+].[Na+]
sodium hydroxyethane diphosphonate
[NH4+].[OH-]
ammonium hydroxide
N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1
chlorhexidine
[Ca+2].[Cl-].[Cl-]
CaCl2
[Cl-].[Cl-].[Mg+2]
MgCl2
→
O=C(O)O.O=P([O-])(O)O.[Ca+2].[F-]
calcium carbonate phosphate fluoride

Reactants

—
( 2 )
O=P([O-])([O-])O.[K+].[K+]
K2HPO4
O=C([O-])[O-].[K+].[K+]
K2CO3
O.O.O.O.O.O.O.O.O.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
sodium pyrophosphate decahydrate
O=P([O-])([O-])OC1C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C1OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
sodium phytate
[F-].[Na+]
sodium fluoride
CCO.O=[PH]([O-])O[PH](=O)[O-].[Na+].[Na+]
sodium hydroxyethane diphosphonate
[NH4+].[OH-]
ammonium hydroxide
—
( 3 )
N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1
chlorhexidine
—
( 4 )
—
SrCl2
[Ca+2].[Cl-].[Cl-]
CaCl2
[Cl-].[Cl-].[Mg+2]
MgCl2
—
( 1 )

Reagents

None

Solvents

O
water
O
water
O
water

Conditions

Detailed conditions
See reaction.notes.procedure_details.

Workup

  1. 1
    Filtration(5) filtering the mixing solutions immediately
  2. 2
    Wash(6) washing with water
  3. 3
    Dryingand (7) drying the solid in a desiccator under vacuum

Procedure

A solid solution of amorphous calcium carbonate phosphate fluoride containing other beneficial ions was synthesized by: (1) adding 1.15 g of CaCl2, 1.39 g of SrCl2, and 0.528 g of MgCl2 to 10 mL of water; (2) adding K2HPO4, K2CO3 and sodium pyrophosphate decahydrate, 0.446 g of sodium phytate, 0.168 g of sodium fluoride, 0.0025 g of sodium hydroxyethane diphosphonate, and 1.24 mL of 14.5 M ammonium hydroxide to 52.4 mL of water buffered at pH=10.0; (3) adding 0.0386 g of chlorhexidine to 10 mL of water; (4) mixing the three solution together; (5) filtering the mixing solutions immediately; (6) washing with water and then 100% ethanol; and (7) drying the solid in a desiccator under vacuum. The approximate composition of the solid in mass % is: phosphate 18%, carbonate 8%, fluoride 2.5%, calcium 12% strontium 17%, and magnesium 2.9%.

Source

DOI: 10.6084/m9.figshare.5104873.v1Patent: US06000341uspto-grants-1999_12