Diethyl (pyridin-2-ylmethyl)phosphonate

Base Information

• Chemical Name: Diethyl (pyridin-2-ylmethyl)phosphonate
• CAS No.: 39996-87-7
• Molecular Formula: C10H16NO3P
• Molecular Weight: 229.216
• Hs Code.: 2933399090
• European Community (EC) Number: 836-355-0
• DSSTox Substance ID: DTXSID30193050
• Nikkaji Number: J960.353K
• Wikidata: Q83065769
• Mol file: 39996-87-7.mol

Synonyms:39996-87-7;diethyl (pyridin-2-ylmethyl)phosphonate;2-(diethoxyphosphorylmethyl)pyridine;2-Pyridylmethylphosphonic acid diethyl ester;Diethyl pyridin-2-ylmethylphosphonate;Phosphonic acid, 2-pyridylmethyl-, diethyl ester;BRN 0174499;alpha-Pikolilo-dwuetylofosfonian [Polish];alpha-Pikolilo-dwuetylofosfonian;diethyl(pyridin-2-ylmethyl)phosphonate;SCHEMBL992724;diethyl 2-pyridylmethylphosphonate;DTXSID30193050;MFCD01706176;AKOS017343378;Diethyl[(2-pyridinyl)methyl]phosphonate;diethyl [(pyridin-2-yl)methyl]phosphonate;LS-106780;CS-0112819;EN300-69699;DIETHYL [(2-PYRIDINYL)METHYL]PHOSPHONATE

Chemical Property of Diethyl (pyridin-2-ylmethyl)phosphonate

Chemical Property:

• Vapor Pressure: 0.000287mmHg at 25°C
• Boiling Point: 332.1°C at 760 mmHg
• Flash Point: 154.7°C
• PSA: 58.23000
• Density: 1.135g/cm³
• LogP: 2.84770
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 229.08678037
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

NLT 98% ^*data from raw suppliers

DiethylPyridin-2-ylmethylphosphonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CC1=CC=CC=N1)OCC

Technology Process of Diethyl (pyridin-2-ylmethyl)phosphonate

There total 5 articles about Diethyl (pyridin-2-ylmethyl)phosphonate 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: 70.0%

2-chloromethylpyridine (4377-33-7) + phosphonic acid diethyl ester (762-04-9) → diethyl 2-pyridylmethylphosphonate (39996-87-7)

Guidance literature:

With sodium; In benzene; for 0.5h; Heating;

Reference yield: 69.9%

2-chloromethylpyridine (4377-33-7) → diethyl 2-pyridylmethylphosphonate (39996-87-7)

Guidance literature:

triethyl phosphite; With sodium; In benzene; for 4h; Heating / reflux;

2-chloromethylpyridine; In benzene; for 2.25h; Heating / reflux;

Reference yield:

2-chloromethylpyridine (4377-33-7) → diethyl 2-pyridylmethylphosphonate (39996-87-7)

Guidance literature:

With benzene;

upstream raw materials:

2-chloromethylpyridine

triethyl phosphite

phosphonic acid diethyl ester

Downstream raw materials:

<(1-benzylpyridino)-2-methyl>phosphonic acid

Cu(pyridine-2-carboxylate)2 C12H8CuN2O4, violet

(E)-(4aR,7R,8aS)-7-methyl-1-[(4-methylbenzene)sulfonyl]-5-(pyridin-2-ylmethylidene)decahydroquinoline

(Z)-(4aR,7R,8aS)-7-methyl-1-[(4-methylbenzene)sulfonyl]-5-(pyridin-2-ylmethylidene)decahydroquinoline