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Cas Database |
| Name |
Risedronic acid |
EINECS | 600-654-2 |
| CAS No. | 105462-24-6 | Density | 1.87 g/cm3 |
| PSA | 167.80000 | LogP | -0.37440 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H11NO7P2 | Boiling Point | 692.3 °C at 760 mmHg |
| Molecular Weight | 283.114 | Flash Point | 372.5 °C |
| Transport Information | N/A | Appearance | white crystal powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 44 |
Risedronic acid Synthetic route
- 501-81-5
pyridyl-3-yl-acetic acid
- 105462-24-6
risedronic acid
| Conditions | Yield |
|---|---|
| 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% |
- 6419-36-9
3-pyridineacetic acid hydrochloride
- 7719-12-2, 52843-90-0
phosphorus trichloride
- 105462-24-6
risedronic acid
| Conditions | Yield |
|---|---|
| Stage #1: 3-pyridineacetic acid hydrochloride; phosphorus trichloride In water at 0 - 80℃; for 1h; Stage #2: With water for 6h; Heating / reflux; | 82% |
- 6419-36-9
3-pyridineacetic acid hydrochloride
- 105462-24-6
risedronic acid
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| In hydrogenchloride; anhydrous phosphorus trichloride; ethanol; water; chlorobenzene |
- 120067-55-2
3-pyridylacetyl chloride
- 105462-24-6
risedronic acid
| Conditions | Yield |
|---|---|
| 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; |
- 17747-43-2
3-pyridyl acetate
- 105462-24-6
risedronic acid
| Conditions | Yield |
|---|---|
| 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; |
- 105462-24-6
risedronic acid
| Conditions | Yield |
|---|---|
| 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; |
- 501-81-5
pyridyl-3-yl-acetic acid
- 7719-12-2, 52843-90-0
phosphorus trichloride
- 105462-24-6
risedronic acid
| Conditions | Yield |
|---|---|
| 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; |
- 6443-85-2
3-pyridinylacetonitrile
- 105462-24-6
risedronic acid
| Conditions | Yield |
|---|---|
| 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; |
- 105462-24-6
risedronic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide; water In isopropyl alcohol at -10 - 70℃; Heating / reflux; | 97% |
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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