2-(benzylamino)ethylphosphonic Acid

Base Information

• Chemical Name: 2-(benzylamino)ethylphosphonic Acid
• CAS No.: 72696-92-5
• Molecular Formula: C9H14NO3P
• Molecular Weight: 215.189
• DSSTox Substance ID: DTXSID90446458
• Nikkaji Number: J3.148.079E
• Mol file: 72696-92-5.mol

Synonyms:72696-92-5;2-(benzylamino)ethylphosphonic Acid;Phosphonic acid, [2-[(phenylmethyl)amino]ethyl]-;DTXSID90446458;[2-(benzylamino)ethyl]phosphonic acid;EN300-8778359

Chemical Property of 2-(benzylamino)ethylphosphonic Acid

Chemical Property:

• Melting Point: >260 °C
• Boiling Point: 417.8±47.0 °C(Predicted)
• PSA: 79.37000
• Density: 1.290±0.06 g/cm3(Predicted)
• LogP: 1.34480
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 215.07113031
• Heavy Atom Count: 14
• Complexity: 198

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNCCP(=O)(O)O

Technology Process of 2-(benzylamino)ethylphosphonic Acid

There total 6 articles about 2-(benzylamino)ethylphosphonic Acid 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: 84.5%

2-chloroethylphosphonic acid (16672-87-0) + benzylamine (100-46-9) → acide N-benzylamino-2 ethylphosphonique (72696-92-5)

Guidance literature:

With sodium hydroxide; potassium iodide; at 20 ℃; for 172h; pH=8; Acid hydrolysis;

DOI:10.1080/00397919808004835

Reference yield: 69.5%

β-(N-benzyl)aminoethylphosphonic acid diethyl ester (79782-58-4) → acide N-benzylamino-2 ethylphosphonique (72696-92-5)

Guidance literature:

With hydrogenchloride; for 18h; Heating;

Reference yield:

C15H30NO3PSi2 (1415210-80-8) → acide N-benzylamino-2 ethylphosphonique (72696-92-5)

Guidance literature:

With methanol; at 20 ℃; for 0.25h; Inert atmosphere;

DOI:10.1016/j.tet.2012.10.059

upstream raw materials:

β-(N-benzyl)aminoethylphosphonic acid diethyl ester

{2-[Benzyl-(diethoxy-phosphoryl)-amino]-ethyl}-phosphonic acid diethyl ester

2-chloroethylphosphonic acid

benzylamine

Downstream raw materials:

(2-aminethyl)phosphonic acid

Refernces

• 1、 Fu, Xiangkai,Gong, Chengbin,Ma, Xuebing,Wen, Shuying. "A new simple route to N-substituted 2-aminoethylphosphonic acids". . p. 2659 - 2664. Retrieved 2007/10/03.