Diethyl (3-Methylbenzyl)phosphonate

Base Information

• Chemical Name: Diethyl (3-Methylbenzyl)phosphonate
• CAS No.: 63909-50-2
• Molecular Formula: C12H19O3P
• Molecular Weight: 242.255
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID60445776
• Nikkaji Number: J748.213B
• Wikidata: Q82264303
• Mol file: 63909-50-2.mol

Synonyms:63909-50-2;Diethyl (3-Methylbenzyl)phosphonate;diethyl 3-methylbenzylphosphonate;1-(diethoxyphosphorylmethyl)-3-methylbenzene;(3-Methylbenzyl)phosphonic Acid Diethyl Ester;MFCD08276364;diethyl [(3-methylphenyl)methyl]phosphonate;SCHEMBL1831290;3-(Diethylphosphonomethyl)toluene;DTXSID60445776;AKOS015842111;AS-61374;SY054757;3-Methylbenzylphosphonic acid diethyl ester;CS-0187358;D3328;FT-0640910;D90177;A867990

Chemical Property of Diethyl (3-Methylbenzyl)phosphonate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.4940-1.4980
• Boiling Point: 340.687oC at 760 mmHg
• Flash Point: 173.569oC
• PSA: 45.34000
• Density: 1.077g/cm3
• LogP: 3.76110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 242.10718146
• Heavy Atom Count: 16
• Complexity: 232

Purity/Quality:

97% ^*data from raw suppliers

Diethyl (3-Methylbenzyl)phosphonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CC1=CC=CC(=C1)C)OCC

Technology Process of Diethyl (3-Methylbenzyl)phosphonate

There total 7 articles about Diethyl (3-Methylbenzyl)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: 84.0%

→ 3-methylbenzyl diethylphosphonate (63909-50-2)

Guidance literature:

Reference yield: 22.0%

(1-Hydroxy-3-methyl-cyclohex-2-enylmethyl)-phosphonic acid diethyl ester (180572-73-0) → diethyl <(2-methoxy-5-methyl)phenyl>methylphosphonate (91954-11-9) + 3-methylbenzyl diethylphosphonate (63909-50-2)

Guidance literature:

With iodine; In methanol; for 1.5h; Heating;

Reference yield: 12.0%

methanol (67-56-1) + (1-Hydroxy-3-methyl-cyclohex-2-enylmethyl)-phosphonic acid diethyl ester (180572-73-0) → diethyl <(2-methoxy-5-methyl)phenyl>methylphosphonate (91954-11-9) + 3-methylbenzyl diethylphosphonate (63909-50-2)

Guidance literature:

With iodine; for 1.5h; Heating;

upstream raw materials:

methanol

(1-Hydroxy-3-methyl-cyclohex-2-enylmethyl)-phosphonic acid diethyl ester

triethyl phosphite

3-methylcyclohexen-2-one

Downstream raw materials:

2-(m-methylstyryl)thiophene

(1-m-Tolyl-cyclopentyl)-phosphonic acid diethyl ester

2-(p-methylstyryl)benzothiophene

(m-Tolyl-trimethylsilanyl-methyl)-phosphonic acid diethyl ester

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