N-ACETYLAMINOMETHYLPHOSPHONATE

Base Information

• Chemical Name: N-ACETYLAMINOMETHYLPHOSPHONATE
• CAS No.: 57637-97-5
• Molecular Formula: C3H8 N O4 P
• Molecular Weight: 153.075
• UNII: F5QHK899XY
• DSSTox Substance ID: DTXSID8074736
• Wikidata: Q27277673
• Mol file: 57637-97-5.mol

Synonyms:Phosphonicacid, (acetamidomethyl)- (6CI); Phosphonic acid, [(acetylamino)methyl]- (9CI);N-Acetylaminomethylphosphonic acid

Chemical Property of N-ACETYLAMINOMETHYLPHOSPHONATE

Chemical Property:

• Melting Point: 185 °C(Solv: methanol (67-56-1))
• Boiling Point: °Cat760mmHg
• PKA: 2.25±0.10(Predicted)
• Flash Point: °C
• PSA: 99.93000
• Density: 1.483g/cm³
• LogP: 0.09800
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• Solubility.: Methanol (Slightly, Heated), Water (Slightly)
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 153.01909473
• Heavy Atom Count: 9
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

N-Acetylaminomethylphosphoric Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCP(=O)(O)O
• Uses: N-Acetylaminomethylphosphoric Acid is been found to show inhibitory properties towards ureases.

Technology Process of N-ACETYLAMINOMETHYLPHOSPHONATE

There total 10 articles about N-ACETYLAMINOMETHYLPHOSPHONATE 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: 96.0%

Aminomethylphosphonic acid (1066-51-9) + acetic anhydride (108-24-7) → N-acetylaminomethylphosphonic acid (57637-97-5)

Guidance literature:

With acetic acid; at 100 ℃; for 0.5h;

Reference yield: 93.5%

1,3,5-tri-acetyl-1,3,5-triaza cyclohexane (26028-46-6) → N-acetylaminomethylphosphonic acid (57637-97-5)

Guidance literature:

With phosphonic Acid; at 90 - 110 ℃;

Reference yield: 92.3%

acetamide (60-35-5) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → N-acetylaminomethylphosphonic acid (57637-97-5)

Guidance literature:

acetamide; formaldehyd; With sodium hydroxide; In water; at 25 ℃; for 2.5h; pH=10 - 11;

With phosphonic Acid; In water; at 35 ℃; for 2.5h; Reagent/catalyst; Temperature;

upstream raw materials:

Aminomethylphosphonic acid

acetic anhydride

(acetylaminomethyl)phosphonic acid diethyl ester

1,3,5-tri-acetyl-1,3,5-triaza cyclohexane

Downstream raw materials:

N-acetylglyphosate

Aminomethylphosphonic acid

Refernces

• 1、 -. "Amide phosphonic acid metal complex, a corresponding composite material and its preparation method". Paragraph 0036-0037. . Retrieved 2017/06/08.
• 2、 Goldeman, Waldemar,Soroka, Miroslaw. "Tritylamine (triphenylmethylamine) in organic synthesis; III. The synthesis of 1-aminoalkylphosphonic acids in the reaction of N-(triphenylmethyl) alkanimines with phosphorus trichloride in acetic acid or with phosphonic (phosphorous) acid in acetic anhydride". experimental part. p. 360 - 369. Retrieved 2011/02/27.