(2-Amino-4-phenylbutyl)phosphonic acid

Base Information

• Chemical Name: (2-Amino-4-phenylbutyl)phosphonic acid
• CAS No.: 82102-19-0
• Molecular Formula: C₁₀H₁₆NO₃P
• Molecular Weight: 229.216
• DSSTox Substance ID: DTXSID70508886
• Mol file: 82102-19-0.mol

Synonyms:(2-Amino-4-phenylbutyl)phosphonic acid;82102-19-0;DTXSID70508886

Chemical Property of (2-Amino-4-phenylbutyl)phosphonic acid

Chemical Property:

• XLogP3: -2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 229.08678037
• Heavy Atom Count: 15
• Complexity: 223

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCC(CP(=O)(O)O)N

Technology Process of (2-Amino-4-phenylbutyl)phosphonic acid

There total 10 articles about (2-Amino-4-phenylbutyl)phosphonic 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: 63.0%

[(R)-4-Phenyl-2-(toluene-4-sulfonylamino)-butyl]-phosphonic acid diethyl ester (88129-48-0) → ((R)-2-Amino-4-phenyl-butyl)-phosphonic acid (82102-19-0,88129-58-2)

Guidance literature:

With hydrogen bromide; phenol; for 3h; Heating;

DOI:10.1016/S0040-4039(00)88062-4

Reference yield: 44.0%

amino-2 phenyl-4 butylphosphonate de diethyle (82102-09-8) → 2-amino-4-phenylbutylphosphonic acid (82102-19-0)

Guidance literature:

With hydrogenchloride; for 18h; Heating;

DOI:10.1016/S0040-4020(01)98903-3

Reference yield:

diethyl (2-oxo-4-phenylbutyl)phosphonate (40601-45-4) → 2-amino-4-phenylbutylphosphonic acid (82102-19-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 1,2-dichloro-ethane / 1 h / Ambient temperature

2: triacetoxyborohydride / 1,2-dichloro-ethane

3: concd. aq.HCl / 4 h / Heating

With hydrogenchloride; sodium triacetoxyborohydride; In 1,2-dichloro-ethane;

DOI:10.1016/0040-4020(96)00590-X

upstream raw materials:

[(R)-4-Phenyl-2-(toluene-4-sulfonylamino)-butyl]-phosphonic acid diethyl ester

(βR)-β-amino-benzenebutanol

Toluene-4-sulfonic acid (R)-4-phenyl-2-(toluene-4-sulfonylamino)-butyl ester

amino-2 phenyl-4 butylphosphonate de diethyle