2-Azaniumyl-4-[hydroxy(methyl)phosphoryl]butanoate

Base Information

• Chemical Name: 2-Azaniumyl-4-[hydroxy(methyl)phosphoryl]butanoate
• CAS No.: 51276-47-2
• Molecular Formula: C5H12NO4P
• Molecular Weight: 181.128
• Hs Code.: 2931900090
• Mol file: 51276-47-2.mol

Synonyms:(3-azaniumyl-3-carboxypropyl)-methylphosphinate;2-azaniumyl-4-[hydroxy(methyl)phosphoryl]butanoate

Chemical Property of 2-Azaniumyl-4-[hydroxy(methyl)phosphoryl]butanoate

Chemical Property:

• Vapor Pressure: 3.61E-12mmHg at 25°C
• Melting Point: 230 ºC
• Refractive Index: 1.5
• Boiling Point: 519.1 ºC at 760 mmHg
• PKA: 2.22±0.10(Predicted)
• Flash Point: 267.7 ºC
• PSA: 110.43000
• Density: 1.378 g/cm³
• LogP: 0.38890
• XLogP3: -5.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 181.05039486
• Heavy Atom Count: 11
• Complexity: 185

Purity/Quality:

98% ^*data from raw suppliers

Phosphinothricin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CP(=O)(CCC(C(=O)O)[NH3+])[O-]

Technology Process of 2-Azaniumyl-4-[hydroxy(methyl)phosphoryl]butanoate

There total 30 articles about 2-Azaniumyl-4-[hydroxy(methyl)phosphoryl]butanoate 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: 100.0%

2-Chloroethyl <3-benzoylamino-3-(methoxycarbonyl)propyl>methylphosphinate (135265-34-8) → DL-homoalanin-4-yl(methyl)phosphinic acid (51276-47-2,53369-07-6)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1246/bcsj.64.1707

Reference yield: 98.0%

C6H13N2O2P → DL-homoalanin-4-yl(methyl)phosphinic acid (51276-47-2,53369-07-6)

Guidance literature:

With hydrogenchloride; In water; for 2h; Reflux;

Reference yield: 96.7%

2-amino-4-(methylethoxyphosphoryl)butyronitrile → DL-homoalanin-4-yl(methyl)phosphinic acid (51276-47-2,53369-07-6)

Guidance literature:

With hydrogenchloride; In water; for 2h; Reflux;

upstream raw materials:

hydrogen cyanide

(3,3-Dimethoxy-propyl)-methyl-phosphinic acid ethyl ester

methyldiethoxyphosphine

ethyl methyl-(3,3-diethoxypropyl)phosphinate

Downstream raw materials:

2-amino-4-(hydroxymethylphosphinyl)butyric acid monoammonium salt

4-[hydroxy(methyl)phosphonyl]-DL-homoalanine

2-carboxyethyl-methyl-phosphinic acid

4-(hydroxymethylphosphinyl)-2-oxobutanoic acid