Dimethyl [(2-methylphenyl)methyl]phosphonate

Base Information

• Chemical Name: Dimethyl [(2-methylphenyl)methyl]phosphonate
• CAS No.: 17105-62-3
• Molecular Formula: C10H15 O3 P
• Molecular Weight: 214.201
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID10378707
• Wikidata: Q82168248
• Mol file: 17105-62-3.mol

Synonyms:17105-62-3;Dimethyl(2-methylbenzyl)phosphonate;dimethyl [(2-methylphenyl)methyl]phosphonate;1-(dimethoxyphosphorylmethyl)-2-methylbenzene;Dimethyl 2-methylbenzylphosphonate;Phosphonic acid,[(2-methylphenyl)methyl]-, dimethyl ester (9CI);1-(dimethoxyphosphorylmethyl)-2-methyl-benzene;SCHEMBL8958927;DTXSID10378707;ADYWFAOCMDTECN-UHFFFAOYSA-N;MFCD03411184;AKOS017343920;2-Methylbenzylphosphonic acid, dimethyl ester;[2-hydroxy-3-(2-methoxyphenoxy)propyl]isopropylammoniumchloride

Chemical Property of Dimethyl [(2-methylphenyl)methyl]phosphonate

Chemical Property:

• Boiling Point: 312.8±21.0 °C(Predicted)
• PSA: 45.34000
• Density: 1.116±0.06 g/cm3(Predicted)
• LogP: 2.98090
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 214.07588133
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

DIMETHYL(2-METHYLBENZYL)PHOSPHONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CP(=O)(OC)OC

Technology Process of Dimethyl [(2-methylphenyl)methyl]phosphonate

There total 7 articles about Dimethyl [(2-methylphenyl)methyl]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: 77.0%

Dimethyl phosphite (868-85-9) + methyl (2-methylphenyl)methyl carbonate → dimethyl 2-methylbenzylphosphonate (17105-62-3)

Guidance literature:

With bis(η3-allyl-μ-chloropalladium(II)); bis[2-(diphenylphosphino)phenyl] ether; In N,N-dimethyl-formamide; at 100 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1246/cl.170901

Reference yield:

→ methyl bromide (74-83-9) + dimethyl 2-methylbenzylphosphonate (17105-62-3)

Guidance literature:

Reference yield:

2-methylbenzyl bromide (89-92-9) + phosphorous acid trimethyl ester (121-45-9) → dimethyl 2-methylbenzylphosphonate (17105-62-3)

Guidance literature:

DOI:10.1021/ja00993a032

upstream raw materials:

1-chloromethyl-2-methylbenzene

Dimethyl phosphite

2-methylbenzyl bromide

phosphorous acid trimethyl ester

Downstream raw materials:

methyl hydrogen 2-methylbenzylphosphonate

1,4-bis[2-(2-methyl-phenyl)ethenyl]-benzene

1-(2-Methylstyryl)-4-(2-cyanostyryl)benzene