1-Hydroxyethanediphosphonic acid, sodium salt

Base Information

• Chemical Name: 1-Hydroxyethanediphosphonic acid, sodium salt
• CAS No.: 3794-83-0
• Deprecated CAS: 1338481-54-1
• Molecular Formula: C₂H₄O₇P₂*4Na
• Molecular Weight: 293.956
• European Community (EC) Number: 249-559-4
• Mol file: 3794-83-0.mol

Synonyms:1-Hydroxyethanediphosphonic acid, sodium salt;EINECS 249-559-4;29329-71-3;Hydroxyethylidene diphosphonic acid, sodium salt;(1-Hydroxyethylidene)bisphosphonic acid, sodium salt;Phosphonic acid, (1-hydroxyethylidene)di-, sodium salt;Disodium Etidronate Hydrate;Disodium 1-hydroxyethane-1,1-diphosphonate hydrate;Phosphonic acid, P,P'-(1-hydroxyethylidene)bis-, sodium salt (1:?);EC 249-559-4;HEDP-Na;SCHEMBL205727;LS-195483;Mono-sodium of 1-Hydroxy Ethylidene-1,1-Diphosphonic Acid

Chemical Property of 1-Hydroxyethanediphosphonic acid, sodium salt

Chemical Property:

• Appearance/Colour: Brown viscous liquid
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 198-199 °C
• Boiling Point: 578.8 °C at 760 mmHg
• PKA: 2.18[at 20 ℃]
• Flash Point: 303.8 °C
• PSA: 166.23000
• Density: 2.074[at 20℃]
• LogP: 0.76060
• Water Solubility.: 774g/L at 20℃
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 228.96429587
• Heavy Atom Count: 12
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

(1-Hydroxyethylidene)bis-phosphonicAcidTetrasodiumSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/38-36-22
• Safety Statements: 26-36/37/39-36

MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Phosphorus Compounds
• Canonical SMILES: CC(O)(P(=O)(O)O)P(=O)(O)O.[Na]
• Uses: (1-Hydroxyethylidene)bis-phosphonic Acid Tetrasodium Salt is used in method for applying a gel compound on a surface of a device and corresponding coated device.

Technology Process of 1-Hydroxyethanediphosphonic acid, sodium salt

There total 9 articles about 1-Hydroxyethanediphosphonic acid, sodium 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.