Zoledronic Acid Trihydrate

Base Information

• Chemical Name: Zoledronic Acid Trihydrate
• CAS No.: 904894-54-8
• Molecular Formula: C₅H₁₀N₂O₇P₂*H₂O
• Molecular Weight: 290.106
• UNII: Y1X5LD5UCA
• Wikidata: Q27294157
• Mol file: 904894-54-8.mol

Synonyms:Zoledronic Acid Trihydrate;1-Hydroxy-2-(1H-iMidazol-1-yl)ethylidene]-bisphosphonic Acid Trihydrate;2-(IMidazol-1-yl)-1-hydroxyethane-1,1-diphosphonic Acid Trihydrate

Chemical Property of Zoledronic Acid Trihydrate

Chemical Property:

• Melting Point: 232-235°C (dec.)
• PSA: 200.42000
• LogP: -1.30830
• Storage Temp.: Refrigerator
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 326.02801871
• Heavy Atom Count: 19
• Complexity: 327

Purity/Quality:

99.99%HPLC ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O.O.O.O
• Uses: Bisphosphonate antiresorptive agent.

Technology Process of Zoledronic Acid Trihydrate

There total 5 articles about Zoledronic Acid Trihydrate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

imidazol-1-ylacetic acid (22884-10-2) → zoledronic acid dihydrate (904894-54-8)

Guidance literature:

imidazol-1-ylacetic acid; With 1-butyl-3-methylimidazolium Tetrafluoroborate; phosphorous acid; phosphorus trichloride; In sulfolane; at 75 ℃; for 0.5h; Ionic liquid;

With water; at 105 ℃; for 1h; pH=1.8; Reagent/catalyst;

DOI:10.1080/00397911.2017.1410894

Reference yield: 89.0%

1-hydroxy-2-(imidazol-1-yl)ethylidene-1,1-bisphosphonic acid (118072-93-8) → zoledronic acid monohydrate (165800-06-6,904894-54-8)

Guidance literature:

With water; at 70 - 80 ℃; Heating / reflux;

Reference yield:

zoledronic acid trihydrate (904894-54-8) → zoledronic acid monohydrate (165800-06-6,904894-54-8)

Guidance literature:

at 60 ℃; for 16h; under 600 Torr; Product distribution / selectivity;

upstream raw materials:

1-hydroxy-2-(imidazol-1-yl)ethylidene-1,1-bisphosphonic acid

zoledronic acid monohydrate

imidazol-1-ylacetic acid

Refernces

• 1、 -. "Crystalline forms of zoledronic acid". Page/Page column 14. . Retrieved 2008/12/05.
• 2、 -. "A CRYSTALLINE FORM OF THE ZOLEDRONIC ACID, A PROCESS TO OBTAIN IT AND THE PHARMACEUTICAL COMPOSITION COMPRISING IT". Page/Page column 7-8. . Retrieved 2008/06/13.