Dimethyl benzylphosphonate

Base Information

• Chemical Name: Dimethyl benzylphosphonate
• CAS No.: 773-47-7
• Molecular Formula: C9H13O3P
• Molecular Weight: 200.174
• NSC Number: 202848
• DSSTox Substance ID: DTXSID50308260
• Nikkaji Number: J498.377G,J503.703D
• Wikidata: Q72469507
• Mol file: 773-47-7.mol

Synonyms:Dimethyl benzylphosphonate;773-47-7;dimethoxyphosphorylmethylbenzene;Dimethylbenzylphosphonate;Benzylphosphonic acid, dimethyl ester;Phosphonic acid, (phenylmethyl)-, dimethyl ester;Phosphonic acid, benzyl-, dimethyl ester;MFCD00086338;NSC 202848;SCHEMBL563700;SCHEMBL3357824;dimethoxyphosphoryl-methyl-benzene;(Dimethoxyphosphinyl)phenylcarbene;DTXSID50308260;NSC202848;AKOS015889391;NSC-202848;SY284594;CS-0455593;FT-0646542;A839058

Chemical Property of Dimethyl benzylphosphonate

Chemical Property:

• Vapor Pressure: 0.00327mmHg at 25°C
• Refractive Index: 1.49
• Boiling Point: 292.1 °C at 760 mmHg
• Flash Point: 144.4 °C
• PSA: 45.34000
• Density: 1.139g/cm³
• LogP: 2.67250
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 200.06023127
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

Dimethyl benzylphosphonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 36/37/38:
• Hazard Codes: 36/37/38:
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=O)(CC1=CC=CC=C1)OC

Technology Process of Dimethyl benzylphosphonate

There total 36 articles about Dimethyl benzylphosphonate 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: 97.0%

benzyl chloride (100-44-7) + Dimethyl phosphite (868-85-9) → dimethyl benzylphosphonate (773-47-7)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; caesium carbonate; In N,N-dimethyl-formamide; at 23 ℃; for 24h;

DOI:10.1016/j.tetlet.2003.09.045

Reference yield: 93.0%

benzyl chloride (100-44-7) + phosphorous acid trimethyl ester (121-45-9) → dimethyl benzylphosphonate (773-47-7)

Guidance literature:

at 20 - 120 ℃; for 12h; Inert atmosphere;

DOI:10.1080/10426507.2016.1225741

Reference yield: 92.0%

benzyl bromide (100-39-0) + Dimethyl phosphite (868-85-9) → dimethyl benzylphosphonate (773-47-7)

Guidance literature:

Dimethyl phosphite; With sodium hydride; In N,N-dimethyl-formamide; for 0.5h; Cooling with ice; Inert atmosphere;

benzyl bromide; In N,N-dimethyl-formamide; at 20 ℃; for 8.5h; Inert atmosphere;

DOI:10.1021/acs.joc.7b03148

upstream raw materials:

C₁₆H₂₁N₂O₅PS

C₁₆H₁₉N₂O₅PS

benzyl bromide

phosphorous acid trimethyl ester

Downstream raw materials:

Bis(trimethylsilyl) benzylphosphonate

dimethyl (4-nitrobenzyl)phosphonate

N,N-diethylnmethylamine

2,4-dimethoxy-6-methylbiphenyl

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