Sodium;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid

Base Information

• Chemical Name: Sodium;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid
• CAS No.: 138926-19-9
• Molecular Formula: C9H24NNaO8P2
• Molecular Weight: 341.213
• Hs Code.: 29319090
• European Community (EC) Number: 682-157-0
• NSC Number: 759815,722623
• NCI Thesaurus Code: C1670
• RXCUI: 236916
• Mol file: 138926-19-9.mol

Synonyms:(1-hydroxy-3-(methylpentylamino)propylidene)bisphosphonate;1-hydroxy-3-(methylpentylamino)propylidenebisphosphonate;BM 21.0955;BM 210955;BM-21.0955;BM-210955;BM21.0955;BM210955;Bondronat;Boniva;Bonviva;ibandronate;ibandronate sodium;Ibandronate Sodium Anhydrous;ibandronic acid;ibandronic acid, sodium salt, monohydrate;RPR 102289A;RPR-102289A;RPR102289A

Chemical Property of Sodium;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 2.88E-16mmHg at 25°C
• Melting Point: 84 °C (dec)
• Boiling Point: 587.8 °C at 760 mmHg
• Flash Point: 309.3 °C
• PSA: 170.21000
• Density: ==
• LogP: 0.87390
• Storage Temp.: -20°C Freezer
• Solubility.: Soluble in DMSO (up to at least 25 mg/ml)
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 342.08474535
• Heavy Atom Count: 20
• Complexity: 342

Purity/Quality:

99.0% MIN ^*data from raw suppliers

Ibandronate sodium monohydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 40
• Safety Statements: 22-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O.[Na+]
• Recent ClinicalTrials: S0307 Phase III Trial of Bisphosphonates as Adjuvant Therapy for Primary Breast Cancer.
• Description: Ibandronate Sodium Monohydrate is a highly potent nitrogen-containing bisphosphonate used for the treatment of osteoporosis.Ibandronate Sodium Monohydrate inhibits bone resorption as a sodium salt and complexed with technetium Tc 99m for bone imaging. The monophosphonates are not active and the biphosphonates are used in disorders affecting the skeleton such as metastatic disease, asteoporosis and Paget's. Ibandronate Sodium Monohydrate is an inhibitor of FDPS.
• Uses: Inhibits bone resorption as a sodium salt and complexed with technetium Tc 99m for bone imaging. The monophosphonates are not active. Biphosphonates are used in disorders affecting the skeleton such as asteoporosis, metastatic disease, and Paget d bone resorption inhibitor, anthypercalcemic An inhibitor of bone resorption

Technology Process of Sodium;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid

There total 9 articles about Sodium;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid 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: 93.6%

3-(N-methyl-N-pentylamino) propionic acid hydrochloride (625120-81-2) → ibandronate monosodium (138926-19-9)

Guidance literature:

3-(N-methyl-N-pentylamino) propionic acid hydrochloride; With phosphonic Acid; at 25 - 30 ℃; for 0.166667h; Large scale;

With trichlorophosphate; In water; toluene; at 60 - 105 ℃; for 12h; Large scale;

With sodium hydroxide; In methanol; at 40 ℃; for 2h; pH=4.1 - 4.3; Temperature; Large scale;

Reference yield:

3-(N-methyl-N-n-pentylamine)propanenitrile hydrochloride → ibandronate monosodium (138926-19-9)

Guidance literature:

With phosphonic Acid; tetra-(n-butyl)ammonium iodide; phosphorus trichloride; In acetonitrile; at 90 ℃; Temperature; Reagent/catalyst;

Reference yield:

sodium hydroxide (1310-73-2) + ibanic acid chloride → ibandronate monosodium (138926-19-9)

Guidance literature:

ibanic acid chloride; With N-ethylmorpholine;; phosphonic Acid; In chlorobenzene; at 50 - 80 ℃; for 3.33333h;

With water; In chlorobenzene; for 4h; Heating / reflux;

sodium hydroxide; With N-ethylmorpholine;; In water; at 80 ℃; pH=4.3 - 4.4;

upstream raw materials:

sodium hydroxide

ibandronic acid

3-(N-methyl-N-pentylamino) propionic acid hydrochloride

sodium acetate

Refernces

• 1、 -. "Sodium ibandronate of a kind of preparation method of a water composition". Paragraph 0071-0074. . Retrieved 2017/03/18.
• 2、 -. "PROCESS FOR MAKING 1-HYDROXYALKYLIDENE-1,1-BIPHOSPHONIC ACIDS". Page/Page column 11. . Retrieved 2011/04/14.