Dimethyl [(4-methoxyphenyl)methyl]phosphonate

Base Information

• Chemical Name: Dimethyl [(4-methoxyphenyl)methyl]phosphonate
• CAS No.: 17105-65-6
• Molecular Formula: C10H15 O4 P
• Molecular Weight: 230.2
• DSSTox Substance ID: DTXSID50378701
• Nikkaji Number: J781.741J
• Wikidata: Q82168236
• Mol file: 17105-65-6.mol

Synonyms:17105-65-6;Dimethyl 4-methoxybenzylphosphonate;dimethyl [(4-methoxyphenyl)methyl]phosphonate;1-(dimethoxyphosphorylmethyl)-4-methoxybenzene;DIMETHYL(4-METHOXYBENZYL)PHOSPHONATE;Phosphonic acid,P-[(4-methoxyphenyl)methyl]-, dimethyl ester;1-(dimethoxyphosphorylmethyl)-4-methoxy-benzene;SCHEMBL12218512;DTXSID50378701;DNP-ALPHA-AMINOISOBUTYRICACID;MFCD03411190;AKOS017343646;4-Methoxybenzylphosphonic acid dimethyl ester

Chemical Property of Dimethyl [(4-methoxyphenyl)methyl]phosphonate

Chemical Property:

• PSA: 54.57000
• LogP: 2.68110
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 230.07079595
• Heavy Atom Count: 15
• Complexity: 216

Purity/Quality:

98% ^*data from raw suppliers

DIMETHYL(4-METHOXYBENZYL)PHOSPHONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CP(=O)(OC)OC

Technology Process of Dimethyl [(4-methoxyphenyl)methyl]phosphonate

There total 6 articles about Dimethyl [(4-methoxyphenyl)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: 87.0%

p-Methoxybenzyl bromide (2746-25-0) + phosphorous acid trimethyl ester (121-45-9) → dimethyl 4-methoxybenzylphosphonate (17105-65-6)

Guidance literature:

for 0.5h; Inert atmosphere; Reflux;

DOI:10.1021/acs.joc.1c02673

Reference yield: 77.0%

Dimethyl phosphite (868-85-9) + (4-methoxyphenyl)methyl methyl carbonate (270921-39-6) → dimethyl 4-methoxybenzylphosphonate (17105-65-6)

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: 59.0%

p-methoxybenzyl chloride (824-94-2) + phosphorous acid trimethyl ester (121-45-9) → dimethyl 4-methoxybenzylphosphonate (17105-65-6)

Guidance literature:

Heating;

DOI:10.1021/jo00164a036

upstream raw materials:

p-methoxybenzyl chloride

phosphorous acid trimethyl ester

p-Methoxybenzyl bromide

Dimethyl phosphite

Downstream raw materials:

2-Benzyloxy-1-methoxy-3-[(E)-2-(4-methoxy-phenyl)-vinyl]-benzene

Dimethyl 1-chloro-1-(4-methoxyphenyl)methanephosphonate

(E)-2-(4-methoxystyryl)furan

trans-3-(p-methoxystyryl)furan