Product Name

  • Name

    Risedronic acid

  • EINECS 600-654-2
  • CAS No. 105462-24-6
  • Article Data44
  • CAS DataBase
  • Density 1.87 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H11NO7P2
  • Boiling Point 692.3 °C at 760 mmHg
  • Molecular Weight 283.114
  • Flash Point 372.5 °C
  • Transport Information
  • Appearance white crystal powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 105462-24-6 (Risedronic acid)
  • Hazard Symbols
  • Synonyms Phosphonicacid, [1-hydroxy-2-(3-pyridinyl)ethylidene]bis- (9CI);1-Hydroxy-2-(3-pyridinyl)ethylidene bisphosphonic acid;1-Hydroxy-2-(3-pyridyl)ethylidene-1,1-diphosphonic acid;1-Hydroxy-2-pyrid-3-ylethylidene-1,1-bisphosphonic acid;BPH 2;NE 58019;Risedronate;
  • PSA 167.80000
  • LogP -0.37440

Synthetic route

pyridyl-3-yl-acetic acid
501-81-5

pyridyl-3-yl-acetic acid

risedronic acid
105462-24-6

risedronic acid

Conditions
ConditionsYield
With phosphoric acid; phosphorus trichloride In chlorobenzene at 90 - 95℃; for 2.5h;95.8%
Stage #1: pyridyl-3-yl-acetic acid With phosphonic Acid; phosphorus trichloride In methanesulfonic acid; Diethyl carbonate at 43 - 79℃; for 6h;
Stage #2: With water In methanesulfonic acid; Diethyl carbonate at 50 - 79℃; for 0.583333h;
Stage #3: With hydrogenchloride; sodium hydroxide Product distribution / selectivity; more than 3 stages;		95.2%
Stage #1: pyridyl-3-yl-acetic acid With 4-nitro-phenol; phosphoric acid; phosphorus trichloride at 65 - 70℃; for 8h;
Stage #2: With water for 10h; Heating; Further stages.;		87%
3-pyridineacetic acid hydrochloride
6419-36-9

3-pyridineacetic acid hydrochloride

phosphorus trichloride
7719-12-2, 52843-90-0

phosphorus trichloride

risedronic acid
105462-24-6

risedronic acid

Conditions
ConditionsYield
Stage #1: 3-pyridineacetic acid hydrochloride; phosphorus trichloride In water at 0 - 80℃; for 1h;
Stage #2: With water for 6h; Heating / reflux;		82%
3-pyridineacetic acid hydrochloride
6419-36-9

3-pyridineacetic acid hydrochloride

risedronic acid
105462-24-6

risedronic acid

Conditions
ConditionsYield
Stage #1: 3-pyridineacetic acid hydrochloride With phosphonic Acid; 4-nitro-phenol at 90℃; for 2h;
Stage #2: With phosphorus trichloride at 90℃; for 6h;
Stage #3: With water at 19℃; for 12h; Reflux;		80%
Stage #1: 3-pyridineacetic acid hydrochloride With phosphorous acid; phosphorus trichloride at 60 - 75℃; for 9h;
Stage #2: With water at 25 - 95℃; for 8h;		79.75%
Stage #1: 3-pyridineacetic acid hydrochloride With phosphonic Acid; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide In ethyl acetate at 76℃;
Stage #2: With water In ethyl acetate at 86 - 89℃; for 5.5h; Product distribution / selectivity;		76.68%
3-pyridineacetic acid hydrochloride
6419-36-9

3-pyridineacetic acid hydrochloride

phosphorous acid
10294-56-1

phosphorous acid

risedronic acid
105462-24-6

risedronic acid

Conditions
ConditionsYield
In hydrogenchloride; anhydrous phosphorus trichloride; ethanol; water; chlorobenzene
3-pyridylacetyl chloride
120067-55-2

3-pyridylacetyl chloride

risedronic acid
105462-24-6

risedronic acid

Conditions
ConditionsYield
Stage #1: 3-pyridylacetyl chloride With N-ethylmorpholine;; phosphonic Acid In chlorobenzene at 50 - 80℃; for 3.33333h;
Stage #2: With water In chlorobenzene for 4h; Heating / reflux;
Stage #1: 3-pyridylacetyl chloride With phosphorus trichloride In toluene at 26 - 110℃; for 6.5h;
Stage #2: With water at 26 - 105℃; for 2h;
Stage #3: With sodium hydroxide In water pH=1.2;
3-pyridyl acetate
17747-43-2

3-pyridyl acetate

risedronic acid
105462-24-6

risedronic acid

Conditions
ConditionsYield
Stage #1: 3-pyridyl acetate With phosphonic Acid In chlorobenzene at 25 - 30℃; for 0.0833333h;
Stage #2: With trichlorophosphate In chlorobenzene at 80 - 95℃; for 5h;
Stage #3: With water In chlorobenzene at 25 - 65℃; for 10h;
C8H9NO4S

C8H9NO4S

risedronic acid
105462-24-6

risedronic acid

Conditions
ConditionsYield
Stage #1: C8H9NO4S With phosphorus trichloride In methanesulfonic acid at 75℃; for 12.5h;
Stage #2: With water at 26 - 105℃; for 2h;
Stage #3: With sodium hydroxide In water pH=1.8;
pyridyl-3-yl-acetic acid
501-81-5

pyridyl-3-yl-acetic acid

phosphorus trichloride
7719-12-2, 52843-90-0

phosphorus trichloride

risedronic acid
105462-24-6

risedronic acid

Conditions
ConditionsYield
Stage #1: pyridyl-3-yl-acetic acid; phosphorus trichloride With methanesulfonic acid at 80℃; Green chemistry;
Stage #2: In water Green chemistry;
Stage #3: With sodium hydroxide In water Green chemistry;
3-pyridinylacetonitrile
6443-85-2

3-pyridinylacetonitrile

risedronic acid
105462-24-6

risedronic acid

Conditions
ConditionsYield
Stage #1: 3-pyridinylacetonitrile With methanesulfonic acid In water at 98 - 100℃; for 8h;
Stage #2: With phosphorus trichloride In water at 65 - 70℃; for 5.41667h;
Stage #3: With water at 30 - 98℃; for 15.5h;
risedronic acid
105462-24-6

risedronic acid

trisodium 3-pyridyl-1-hydroxyethylidene-1,1-bisphosphonate trihydrate

trisodium 3-pyridyl-1-hydroxyethylidene-1,1-bisphosphonate trihydrate

Conditions
ConditionsYield
With sodium hydroxide; water In isopropyl alcohol at -10 - 70℃; Heating / reflux;97%
risedronic acid
105462-24-6

risedronic acid

Risedronate

Risedronate

Conditions
ConditionsYield
With sodium hydroxide In water for 0.166667h; pH=4.67; Product distribution / selectivity;92.3%
With sodium hydroxide In water; tert-butyl alcohol for 0.166667h; pH=4.60; Product distribution / selectivity;92.6%
With potassium carbonate In water for 0.5h; pH=4.57; Product distribution / selectivity;87.6%
risedronic acid
105462-24-6

risedronic acid

monopotassium risedronate dihydrate

monopotassium risedronate dihydrate

Conditions
ConditionsYield
With potassium hydroxide; water at 0 - 60℃; Heating / reflux;91%
ferrous(II) sulfate heptahydrate

ferrous(II) sulfate heptahydrate

water
7732-18-5

water

risedronic acid
105462-24-6

risedronic acid

2C7H6NO7P2(5-)*10H2O*3Fe(2+)*4H(1+)

2C7H6NO7P2(5-)*10H2O*3Fe(2+)*4H(1+)

Conditions
ConditionsYield
With 4,4'-bipyridine at 140℃; for 120h; Autoclave; High pressure;87%
...Expand
[99mTc(CO)3(bipy)]Cl
917085-17-7

[99mTc(CO)3(bipy)]Cl

risedronic acid
105462-24-6

risedronic acid

C20H19N3O10P2(99)Tc(1+)*Cl(1-)

C20H19N3O10P2(99)Tc(1+)*Cl(1-)

Conditions
ConditionsYield
With sodium hydroxide In water at 45℃; for 0.5h; pH=7; Inert atmosphere;85%
risedronic acid
105462-24-6

risedronic acid

risedronic acid monosodium salt hemipentahydrate

risedronic acid monosodium salt hemipentahydrate

Conditions
ConditionsYield
Stage #1: risedronic acid With sodium hydroxide; pyrographite In water for 0.25h; pH=6.7;
Stage #2: With acetic acid In water at 25 - 30℃; for 4h; pH=4.6;		80.9%
With sodium hydroxide; water at 15 - 16℃; for 0.333333h; pH=4.85; Product distribution / selectivity;76.4%
With sodium hydroxide; water at 100 - 102℃; for 2h; pH=4.9 - 5; Heating / reflux;67%
With sodium hydroxide In water at 65℃;64.7%
With sodium hydroxide; water In isopropyl alcohol at 15 - 18℃; for 2.5h; Product distribution / selectivity;

Conditions
ConditionsYield
In ethanol; water at 0℃; Heating / reflux;79.8%

Conditions
ConditionsYield
With potassium hydroxide In ethanol; water at 0 - 60℃; Heating / reflux;79.6%
aqueous cadmium chloride

aqueous cadmium chloride

risedronic acid
105462-24-6

risedronic acid

C7H8NO7P2(3-)*H2O*Cd(2+)*H(1+)

C7H8NO7P2(3-)*H2O*Cd(2+)*H(1+)

Conditions
ConditionsYield
In water at 170℃; for 120h; Autoclave; High pressure;78%
nickel(II) sulfate hexahydrate

nickel(II) sulfate hexahydrate

water
7732-18-5

water

risedronic acid
105462-24-6

risedronic acid

([Ni3(1-hydroxy-2-(3-pyridyl)-ethylidene-1,1-diphosphonicacid(-3H))2(H2O)4]*(H2O)2)(n)

([Ni3(1-hydroxy-2-(3-pyridyl)-ethylidene-1,1-diphosphonicacid(-3H))2(H2O)4]*(H2O)2)(n)

Conditions
ConditionsYield
With CH3ONa In water High Pressure; mixt. heated at 160 °C for 4 d in autoclave, pH 4.7 (CH3ONa); elem. anal.;77%
...Expand
tert-butyl N-(2-oxiranylmethyl)carbamate
148982-76-7, 149057-20-5, 115198-80-6

tert-butyl N-(2-oxiranylmethyl)carbamate

risedronic acid
105462-24-6

risedronic acid

C15H27N2O10P2(1+)
1092514-83-4

C15H27N2O10P2(1+)

Conditions
ConditionsYield
With water; sodium hydroxide In methanol at 40℃; for 24h; pH=6.2;77%
With sodium hydroxide In methanol; water at 40℃; for 18.5h; pH=6.2;

Conditions
ConditionsYield
With sodium hydroxide In ethanol; water at 0 - 60℃; Heating / reflux;76%
copper(II) choride dihydrate

copper(II) choride dihydrate

Conditions
ConditionsYield
With 4,4'-bipyridine In water at 140℃; for 120h; Autoclave; High pressure;73%
[Re(2,2′-bipyridine)(CO)3(H2O)](CF3SO3)
537030-00-5

[Re(2,2′-bipyridine)(CO)3(H2O)](CF3SO3)

risedronic acid
105462-24-6

risedronic acid

C20H19N3O10P2Re(1+)*CF3O3S(1-)
1486464-83-8

C20H19N3O10P2Re(1+)*CF3O3S(1-)

Conditions
ConditionsYield
With sodium hydroxide In water at 75℃; for 12h; pH=7;70%
sodium hydroxide
1310-73-2

sodium hydroxide

water
7732-18-5

water

risedronic acid
105462-24-6

risedronic acid

risedronic acid monosodium salt hemipentahydrate

risedronic acid monosodium salt hemipentahydrate

Conditions
ConditionsYield
at 25 - 65℃; for 3h;64.7%
...Expand
water
7732-18-5

water

copper(II) acetate monohydrate
6046-93-1

copper(II) acetate monohydrate

ethylenediamine
107-15-3

ethylenediamine

risedronic acid
105462-24-6

risedronic acid

[Cu2(1-hydroxyl-2-(3-pyridyl)ethylidene-1,1-diphosphonic acid(-3H))](H2O)*0.5(ethanediamine)

[Cu2(1-hydroxyl-2-(3-pyridyl)ethylidene-1,1-diphosphonic acid(-3H))](H2O)*0.5(ethanediamine)

Conditions
ConditionsYield
at 150℃; for 120h; Autoclave; High pressure;62%
...Expand
copper(ll) sulfate pentahydrate

copper(ll) sulfate pentahydrate

risedronic acid
105462-24-6

risedronic acid

3Cu(2+)*2C7H8NO7P2(3-)*2H2O

3Cu(2+)*2C7H8NO7P2(3-)*2H2O

Conditions
ConditionsYield
In water at 150℃; for 120h; Autoclave; High pressure;61%

Risedronic acid Specification

The CAS registry number of Risedronic acid is 105462-24-6. The IUPAC name is (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid. In addition, the molecular formula is C7H11NO7P2 and the molecular weight is 283.11. It belongs to the class of Intermediate of Risedronate Sodium. What's more, it a bisphosphonate used to strengthen bone, treat or prevent osteoporosis, and treat Paget's disease of bone. And it is produced and marketed by Warner Chilcott and Sanofi-Aventis.

Physical properties about this chemical are: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 8; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 167.8 Å2; (11)Index of Refraction: 1.651; (12)Molar Refractivity: 55.281 cm3; (13)Molar Volume: 151.346 cm3; (14)Polarizability: 21.915 ×10-24cm3; (15)Surface Tension: 120.058 dyne/cm; (16)Density: 1.871 g/cm3; (17)Flash Point: 372.488 °C; (18)Enthalpy of Vaporization: 106.529 kJ/mol; (19)Boiling Point: 692.297 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O
(2)InChI: InChI=1/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)
(3)InChIKey: IIDJRNMFWXDHID-UHFFFAOYAC

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