4-Pyridylmethylphosphonic acid

Base Information

• Chemical Name: 4-Pyridylmethylphosphonic acid
• CAS No.: 80241-43-6
• Molecular Formula: C6H8NO3P
• Molecular Weight: 173.108
• ChEMBL ID: CHEMBL1651840
• DSSTox Substance ID: DTXSID30508302
• Nikkaji Number: J2.426.354A
• Wikidata: Q82365104
• Mol file: 80241-43-6.mol

Synonyms:4-Pyridylmethylphosphonic acid;80241-43-6;Pyridin-4-ylmethylphosphonic acid;[(Pyridin-4-yl)methyl]phosphonic acid;Phosphonic acid, (4-pyridinylmethyl)-;CHEMBL1651840;(4-Pyridinylmethyl)phosphonic acid;(pyridin-4-ylmethyl)phosphonic acid;SCHEMBL1584790;DTXSID30508302;(pyridin-4-ylmethyl)phosphonicacid;BDBM50335490;MFCD16877726;AKOS017345030;P2528;EN300-7699522

Chemical Property of 4-Pyridylmethylphosphonic acid

Chemical Property:

• PSA: 80.23000
• LogP: 0.75930
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 173.02418011
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

4-Pyridylmethylphosphonicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CN=CC=C1CP(=O)(O)O

Technology Process of 4-Pyridylmethylphosphonic acid

There total 6 articles about 4-Pyridylmethylphosphonic 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: 83.0%

(4-pyridylmethyl)thiophosphonic acid → (4-Pyridylmethyl)phosphonic acid (80241-43-6)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; for 0.5h; Heating;

Reference yield: 60.0%

4-<(diethylphosphono)methyl>pyridine (77047-42-8) → (4-Pyridylmethyl)phosphonic acid (80241-43-6)

Guidance literature:

With hydrogenchloride; for 8h; Heating;

Reference yield:

4-(Chloromethyl)pyridine (10445-91-7) → (4-Pyridylmethyl)phosphonic acid (80241-43-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) Na, 2.) 40percent aq. NaOH / 1.) benzene, 2.) reflux, 2 h

2: LiBr / acetonitrile / 4 h / Heating

3: H₂O

With sodium hydroxide; water; sodium; lithium bromide; In acetonitrile;

DOI:10.1246/bcsj.63.2438

upstream raw materials:

4-<(diethylphosphono)methyl>pyridine

picoline

4-(Chloromethyl)pyridine

Downstream raw materials:

4-methylpyridinium phosphate

1-dodecyl-4-methyl-pyridinium; chloride

myristyl-gamma-picolinium chloride

1-hexadecyl-4-methyl pyridinium chloride

Refernces

• 1、 Kostka, Krzysztof,Ochocki, Justyn. "PHOSPHONIC COMPLEXONES. PART II. SYNTHESIS, THERMAL AND SPECTROSCOPIC ANALYSIS AND INVESTIGATION ON PROTOLYTIC EQUILIBRIA OF 4-PYRIDYLMETHYLPHOSPHONIC ACID (4-PMPA) AND 2-QUINOLYLMETHYLPHOSPHONIC ACID (2-QMPA)". . p. 177 - 188. Retrieved 2007/10/02.