Hydrogen {[bis(carboxymethyl)ammonio]methyl}phosphonate

Base Information

• Chemical Name: Hydrogen {[bis(carboxymethyl)ammonio]methyl}phosphonate
• CAS No.: 5994-61-6
• Molecular Formula: C5H10NO7P
• Molecular Weight: 227.111
• Mol file: 5994-61-6.mol

Synonyms:STL045044;AKOS005698394;hydrogen {[bis(carboxymethyl)ammonio]methyl}phosphonate

Chemical Property of Hydrogen {[bis(carboxymethyl)ammonio]methyl}phosphonate

Chemical Property:

• Appearance/Colour: Neutral crystalline powder
• Vapor Pressure: 3.01E-15mmHg at 25°C
• Melting Point: 215 °C (dec.)(lit.)
• Refractive Index: 1.577
• Boiling Point: 585.9 °C at 760 mmHg
• PKA: 0.90±0.10(Predicted)
• Flash Point: 308.2 °C
• PSA: 145.18000
• Density: 1.792 g/cm³
• LogP: -1.40720
• XLogP3: -4.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 227.01948866
• Heavy Atom Count: 14
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

N-(Carboxymethyl)-N-(phosphonomethyl)-glycine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)O)[NH+](CC(=O)O)CP(=O)(O)[O-]
• Uses: N-(Carboxymethyl)-N-(phosphonomethyl)-glycine is used in surface modification of cobalt oxide nanoparticle to overcome any toxic effect while functioning as cancer antigen carrier.

Technology Process of Hydrogen {[bis(carboxymethyl)ammonio]methyl}phosphonate

There total 21 articles about Hydrogen {[bis(carboxymethyl)ammonio]methyl}phosphonate 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: 98.5%

iminodiacetic acid hydrochloride + iminodiacetonitrile (628-87-5) → phosphonomethylimino-di-acetic acid (5994-61-6)

Guidance literature:

iminodiacetonitrile; With sodium hydroxide; In water; at 100 - 110 ℃; for 1h;

iminodiacetic acid hydrochloride; With dihydrogen peroxide; pyrographite; at 80 - 100 ℃; for 0.5h;

With formaldehyd; phosphoric acid; at 110 ℃; for 3h; Reagent/catalyst;

Reference yield: 97.3%

Ν,Ν-biscyanomethyl glycine (31611-66-2) → phosphonomethylimino-di-acetic acid (5994-61-6)

Guidance literature:

Ν,Ν-biscyanomethyl glycine; With methanesulfonic acid; phosphorus pentoxide; In acetonitrile; at 25 - 40 ℃; for 21h;

With water; sodium hydroxide; In acetonitrile; at 90 ℃; for 7h; Reagent/catalyst; Time; pH-value; Temperature;

Reference yield: 94.7%

→ phosphonomethylimino-di-acetic acid (5994-61-6)

Guidance literature:

upstream raw materials:

formaldehyd

iminodiacetic acid

phosphorous acid

1,4-di(carboxymethyl)-2,5-diketopiperazine

Downstream raw materials:

Aminomethylphosphonic acid

N-(phosphonemethyl)glycine

formaldehyd

formic acid

Refernces

• 1、 -. "A method for synthesizing pmida (by machine translation)". Paragraph 0028; 0030. . Retrieved 2017/01/17.
• 2、 -. "New process for clean production of pmida and cyclic utilization of byproducts". Paragraph 0035. . Retrieved 2016/12/01.