4-(Diethoxyphosphorylmethyl)benzaldehyde

Base Information

• Chemical Name: 4-(Diethoxyphosphorylmethyl)benzaldehyde
• CAS No.: 125185-25-3
• Molecular Formula: C12H17O4P
• Molecular Weight: 256.238
• DSSTox Substance ID: DTXSID70563617
• Nikkaji Number: J2.092.142K
• Wikidata: Q82448094
• Mol file: 125185-25-3.mol

Synonyms:4-(Diethoxyphosphorylmethyl)benzaldehyde;125185-25-3;4-(DIETHYLPHOSPHONOMETHYL)BENZALDEHYDE;Diethyl [(4-formylphenyl)methyl]phosphonate;Diethyl 4-formylbenzylphosphonate;Phosphonic acid, P-[(4-formylphenyl)methyl]-, diethyl ester;SCHEMBL440134;DTXSID70563617;XVFUMRMVANEEBK-UHFFFAOYSA-N;MFCD09838878;AKOS017343372

Chemical Property of 4-(Diethoxyphosphorylmethyl)benzaldehyde

Chemical Property:

• PSA: 62.41000
• LogP: 3.26520
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 256.08644602
• Heavy Atom Count: 17
• Complexity: 262

Purity/Quality:

97% ^*data from raw suppliers

4-(Diethoxyphosphorylmethyl)benzaldehyde 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Diethoxyphosphorylmethyl)benzaldehyde

There total 11 articles about 4-(Diethoxyphosphorylmethyl)benzaldehyde 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: 90.0%

4-(bromomethyl)benzaldehyde (51359-78-5) + triethyl phosphite (122-52-1) → (4-formylphenyl)methylphosphonic acid diethyl ester (125185-25-3)

Guidance literature:

at 130 ℃;

DOI:10.1055/s-2004-815425

Reference yield: 90.0%

diethyl <4-(chloromethyl)benzyl> phosphonate (25596-72-9) → (4-formylphenyl)methylphosphonic acid diethyl ester (125185-25-3)

Guidance literature:

With hexamethylenetetramine; In acetic acid; at 100 ℃; for 3h;

DOI:10.1016/j.tetlet.2006.02.088

Reference yield: 88.0%

4-(diethoxyphosphorylmethyl)-1-bromomethyl-phenyl (108228-81-5) → (4-formylphenyl)methylphosphonic acid diethyl ester (125185-25-3)

Guidance literature:

With sodium hydrogencarbonate; In dimethyl sulfoxide; at 130 ℃; for 4h;

DOI:10.1016/j.tetlet.2004.07.067

upstream raw materials:

4-(bromomethyl)benzaldehyde

triethyl phosphite

diethyl (4-(hydroxymethyl)benzyl)phosphonate

4-(diethoxyphosphorylmethyl)-1-bromomethyl-phenyl

Downstream raw materials:

5-[4-(diethoxyphosphorylmethyl)phenyl]dipyrromethane

[4-((S)-1-Hydroxy-but-3-enyl)-benzyl]-phosphonic acid diethyl ester

(4-diethoxymethyl-benzyl)-phosphonic acid diethyl ester

[4-((R)-1-Phenoxycarbonylamino-but-3-enyl)-benzyl]-phosphonic acid diethyl ester