Phosphonic acid, (1-hydroxyethylidene)bis-, trisodium salt

Base Information

• Chemical Name: Phosphonic acid, (1-hydroxyethylidene)bis-, trisodium salt
• CAS No.: 2666-14-0
• Molecular Formula: C₂H₄O₇P₂*4Na
• Molecular Weight: 293.956
• European Community (EC) Number: 220-200-3
• UNII: 6Z2J8X3Q6U
• DSSTox Substance ID: DTXSID8029658
• Nikkaji Number: J42.163D
• Wikidata: Q27265745
• Mol file: 2666-14-0.mol

Synonyms:Trisodium etidronate;Phosphonic acid, (1-hydroxyethylidene)bis-, trisodium salt;2666-14-0;EINECS 220-200-3;UNII-6Z2J8X3Q6U;(1-Hydroxyethylidene)diphosphonic acid, trisodium salt;6Z2J8X3Q6U;Trisodium hydrogen (1-hydroxyethylidene)bisphosphonate;Ethane-1-hydroxy-1,1-diphosphonic acid, trisodium salt;trisodium;hydroxy-(1-hydroxy-1-phosphonatoethyl)phosphinate;Phosphonic acid, (1-hydroxyethylidene)di-, trisodium salt;DIPHOSPHONIC ACID, (1-HYDROXYETHYLIDENE)-, TRISODIUM SALT;Phosphonic acid, P,P'-(1-hydroxyethylidene)bis-, sodium salt (1:3);DEQUEST 2015DN;C2H5O7P2.3Na;C2H8O7P2.3Na;DTXSID8029658;C2-H8-O7-P2.3Na;1-Hydroxyethylidene-1,1-bis-(phosphonic acid) trisodium salt;LS-62884;TRISODIUM ETHANOL-1,1-DIPHOSPHONATE;1-Hydroxy-1,1-ethane-diphosphonic acid, 3Na Salt;OXYETHYLIDENEDIPHOSPHONIC ACID TRISODIUM SALT;TRISODIUM (1-HYDROXYETHYLIDENE)DIPHOSPHONATE;TRISODIUM 1-HYDROXYETHANE-1,1-DIPHOSPHONATE;trisodium hydrogen 1-hydroxyethane-1,1-diphosphonate;Q27265745;TRISODIUM ETHANE-1-HYDROXY-1,1-DIPHOSPHONATE;trisodium [1-hydroxy-1-(hydroxyphosphinato)ethyl]phosphonate;1-hydroxyethylidene-1,1-diphosphonic acid trisodium salt, AldrichCPR;(1-Hydroxyethylidene)bisphosphonic acid alpha,alpha,alpha'-trisodium salt

Chemical Property of Phosphonic acid, (1-hydroxyethylidene)bis-, trisodium salt

Chemical Property:

• Vapor Pressure: 8.34E-16mmHg at 25°C
• Boiling Point: 578.8°Cat760mmHg
• Flash Point: 303.8°C
• PSA: 163.40000
• Density: g/cm³
• LogP: 0.32240
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 271.92035934
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(O)(P(=O)(O)[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]

Technology Process of Phosphonic acid, (1-hydroxyethylidene)bis-, trisodium salt

There total 9 articles about Phosphonic acid, (1-hydroxyethylidene)bis-, trisodium salt 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: 43.0%

acetic acid (64-19-7,77671-22-8) → etidronate disodium (2666-14-0,3794-83-0,7414-83-7,13529-88-9,13710-39-9,17721-68-5,29329-71-3,32573-98-1)

Guidance literature:

acetic acid; With methanesulfonic acid; bis(trichloromethyl) carbonate; at 85 ℃; for 6h;

In water; at 105 ℃; for 4h;

With sodium hydroxide; In water; pH=1.8; Reagent/catalyst;

DOI:10.2174/15701808113109990026

Reference yield: 43.0%

acetyl chloride (75-36-5) → etidronate disodium (2666-14-0,3794-83-0,7414-83-7,13529-88-9,13710-39-9,17721-68-5,29329-71-3,32573-98-1)

Guidance literature:

acetyl chloride; With methanesulfonic acid; phosphorus trichloride; at 85 ℃; for 24h;

In water; at 105 ℃; for 4h;

With sodium hydroxide; In water; pH=1.8; Reagent/catalyst;

DOI:10.2174/15701808113109990026

Reference yield:

(2-hydroxyethyl)(methyl)amine (109-83-1) + 1-hydroxyethylene-(1,1-diphosphonic acid) (2809-21-4) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → etidronate disodium (2666-14-0,3794-83-0,7414-83-7,13529-88-9,13710-39-9,17721-68-5,29329-71-3,32573-98-1) + (1-hydroxyethylidene)bisphosphonic acid mono(2,6-dihydroxy-4-methyl-4-azahexyl) ester + {1-[(3-Chloro-2-hydroxy-propoxy)-hydroxy-phosphoryl]-1-hydroxy-ethyl}-phosphonic acid mono-(3-chloro-2-hydroxy-propyl) ester

Guidance literature:

Multistep reaction; 1.) water, 60 deg C, 20-30 h, pH 6-7;

upstream raw materials:

(2-hydroxyethyl)(methyl)amine

1-hydroxyethylene-(1,1-diphosphonic acid)

epichlorohydrin

ethanolamine

Downstream raw materials:

vinylidene-1,1-diphosphonic acid

Refernces

• 1、 Deschamp, Julia,Dussart-Gautheret, Jade,Lecouvey, Marc,Legigan, Thibaut,Migianu-Griffoni, Evelyne,Monteil, Maelle. "One-pot synthesis of phosphinylphosphonate derivatives and their anti-tumor evaluations". . . Retrieved 2021/12/24.
• 2、 -. "METHOD FOR PRODUCING PURE DISODIUM PAMIDRONATE". Page/Page column 10. . Retrieved 2008/06/13.