4-Aminobutylphosphonic acid

Base Information

• Chemical Name: 4-Aminobutylphosphonic acid
• CAS No.: 35622-27-6
• Molecular Formula: C₄H₁₂NO₃P
• Molecular Weight: 153.118
• Hs Code.: 2931900090
• European Community (EC) Number: 621-216-7
• DSSTox Substance ID: DTXSID80189100
• Nikkaji Number: J379.159I
• Mol file: 35622-27-6.mol

Synonyms:4-ABPA;4-aminobutylphosphonic acid

Chemical Property of 4-Aminobutylphosphonic acid

Chemical Property:

• Vapor Pressure: 1.2E-05mmHg at 25°C
• Melting Point: 133-134 °C
• Boiling Point: 344.2°Cat760mmHg
• PKA: pK1: 2.55;pK2: 7.55;pK3: 10.9 (25°C)
• Flash Point: 161.9°C
• PSA: 93.36000
• Density: 1.304g/cm³
• LogP: 0.60330
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -4.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 153.05548024
• Heavy Atom Count: 9
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

4-Aminobutylphosphonic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCP(=O)(O)O)CN

Technology Process of 4-Aminobutylphosphonic acid

There total 3 articles about 4-Aminobutylphosphonic 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:

diethyl 4-aminobutylphosphonate (53253-54-6) → 4-aminobutylphosphonic acid (35622-27-6)

Guidance literature:

With hydrogenchloride; methyloxirane; Yield given. Multistep reaction; 1.) AcOH, reflux, 20 h, 2.) MeOH, 0 deg C, overnight;

DOI:10.1055/s-1989-27149

Reference yield:

diethyl (4-(1,3-dioxoisoindolin-2-yl)butyl)phosphonate (86791-02-8) → 4-aminobutylphosphonic acid (35622-27-6)

Guidance literature:

With hydrogenchloride; Yield given;

Reference yield:

2-(4-bromobutyl)isoindoline-1,3-dione (5394-18-3) → 4-aminobutylphosphonic acid (35622-27-6)

Guidance literature:

With benzene; Kochen des Reaktionsprodukts mit konz.wss.HCl;

upstream raw materials:

diethyl 4-aminobutylphosphonate

diethyl (4-(1,3-dioxoisoindolin-2-yl)butyl)phosphonate

2-(4-bromobutyl)isoindoline-1,3-dione