3-Aminopropylphosphonic acid

Base Information

• Chemical Name: 3-Aminopropylphosphonic acid
• CAS No.: 13138-33-5
• Molecular Formula: C3H10NO3P
• Molecular Weight: 139.091
• Hs Code.: 29310099
• European Community (EC) Number: 625-723-4
• NSC Number: 133832
• UNII: VM92T06VPB
• DSSTox Substance ID: DTXSID50157018
• Nikkaji Number: J236.443C
• Wikidata: Q27291898
• Pharos Ligand ID: Q4BBGYCQ45QM
• ChEMBL ID: CHEMBL286077
• Mol file: 13138-33-5.mol

Synonyms:3-aminopropylphosphonic acid;aminopropylphosphonate, sodium salt

Chemical Property of 3-Aminopropylphosphonic acid

Chemical Property:

• Appearance/Colour: light yellow liquid
• Vapor Pressure: 1.31E-05mmHg at 25°C
• Melting Point: 290-294 ºC
• Boiling Point: 343°Cat760mmHg
• PKA: 2.11±0.10(Predicted)
• Flash Point: 161.2°C
• PSA: 93.36000
• Density: 1.378g/cm³
• LogP: 0.21320
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: soluble
• XLogP3: -4.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 139.03983018
• Heavy Atom Count: 8
• Complexity: 98.7

Purity/Quality:

97% ^*data from raw suppliers

3-Aminopropylphosphonic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CN)CP(=O)(O)O
• Uses: 3-Aminopropylphosphonic acid was used as a selective antagonist of GABA(C) receptor.

Technology Process of 3-Aminopropylphosphonic acid

There total 2 articles about 3-Aminopropylphosphonic 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: 95.0%

→ phosphonic Acid (13598-36-2) + 3-aminopropanephosphonic acid (13138-33-5)

Guidance literature:

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) → 3-aminopropanephosphonic acid (13138-33-5) + N-methyliminobis(methylphosphonic acid) (5995-25-5)

Guidance literature:

With ammonia; phosphorous acid; methanesulfonic acid; In water; at 105 - 145 ℃; for 2.05 - 5h; Product distribution / selectivity; Heating / reflux;

Reference yield: 69.0%

3-aminopropanephosphonic acid (13138-33-5) + 3-bromo-4-((5-phenylpentyl)thio)benzaldehyde (1309380-30-0) → [3-({3-bromo-4-[(5-phenylpentyl)thio]benzyl}amino)propyl]phosphonic acid (1614222-55-7)

Guidance literature:

3-aminopropanephosphonic acid; 3-bromo-4-((5-phenylpentyl)thio)benzaldehyde; With tetra(n-butyl)ammonium hydroxide; In tetrahydrofuran; methanol; at 20 - 60 ℃; for 1.5h;

With methanol; sodium tetrahydroborate; In tetrahydrofuran; at 20 ℃; for 18h;

upstream raw materials:

formaldehyd

Downstream raw materials:

3-(benzyloxycarbonylamino)propyl phosphonic acid

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