[Hydroxy(4-methoxyphenyl)methyl]phosphonic acid

Base Information

• Chemical Name: [Hydroxy(4-methoxyphenyl)methyl]phosphonic acid
• CAS No.: 63694-17-7
• Molecular Formula: C8H11O5P
• Molecular Weight: 218.146
• ChEMBL ID: CHEMBL69730
• DSSTox Substance ID: DTXSID10508300
• Mol file: 63694-17-7.mol

Synonyms:63694-17-7;[Hydroxy(4-methoxyphenyl)methyl]phosphonic acid;CHEMBL69730;SCHEMBL11087848;DTXSID10508300

Chemical Property of [Hydroxy(4-methoxyphenyl)methyl]phosphonic acid

Chemical Property:

• XLogP3: -0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 218.03441044
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of [Hydroxy(4-methoxyphenyl)methyl]phosphonic acid

There total 8 articles about [Hydroxy(4-methoxyphenyl)methyl]phosphonic acid 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: 98.0%

bis(trimethylsilyl) [(p-methoxyphenyl)(trimethylsiloxy)methyl]phosphonate (63694-12-2) → (4-methoxyphenyl)(hydroxy)methylphosphonic acid (63694-17-7)

Guidance literature:

With methanol; In diethyl ether; Heating;

DOI:10.1007/s11176-006-0023-1

Reference yield: 96.0%

bis(trimethylsilyl) (4-methoxyphenyl)(chloro)methylphosphonate → (4-methoxyphenyl)(hydroxy)methylphosphonic acid (63694-17-7)

Guidance literature:

With hydrogenchloride; for 4h; Heating;

DOI:10.1134/S107036320605029X

Reference yield:

4-methoxy-benzaldehyde (123-11-5) → (4-methoxyphenyl)(hydroxy)methylphosphonic acid (63694-17-7)

Guidance literature:

With chloro-trimethyl-silane; bis(trimethylsilyl) 2,2,2-trichloroethoxycarbonylphosphonate; zinc; Yield given. Multistep reaction; 1) ether, r.t., 2 h, 2) ether, r.t., 5 h;

DOI:10.1039/c39810000970

upstream raw materials:

bis(trimethylsilyl) [(p-methoxyphenyl)(trimethylsiloxy)methyl]phosphonate

4-methoxy-benzaldehyde

diethyl (hydroxy(4-methoxyphenyl)methyl)phosphonate

[hydroxy-(4-methoxy-phenyl)-methyl]-phosphonic acid dimethyl ester