Phosphonic acid, [[4-(hydroxymethyl)phenyl]methyl]-, diethyl ester

Base Information

• Chemical Name: Phosphonic acid, [[4-(hydroxymethyl)phenyl]methyl]-, diethyl ester
• CAS No.: 125185-26-4
• Molecular Formula: C12H19O4P
• Molecular Weight: 258.254
• DSSTox Substance ID: DTXSID201166001
• Mol file: 125185-26-4.mol

Synonyms:SCHEMBL9512480;DTXSID201166001;Phosphonic acid, [[4-(hydroxymethyl)phenyl]methyl]-, diethyl ester;125185-26-4

Chemical Property of Phosphonic acid, [[4-(hydroxymethyl)phenyl]methyl]-, diethyl ester

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 258.10209608
• Heavy Atom Count: 17
• Complexity: 239

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Phosphonic acid, [[4-(hydroxymethyl)phenyl]methyl]-, diethyl ester

There total 3 articles about Phosphonic acid, [[4-(hydroxymethyl)phenyl]methyl]-, diethyl ester 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:

4-[(diethoxyphosphinyl)methyl]benzoic acid (28149-48-6) → diethyl (4-(hydroxymethyl)benzyl)phosphonate (125185-26-4)

Guidance literature:

With borane; In tetrahydrofuran; at 20 ℃; for 4h;

DOI:10.1021/jo034946d

Reference yield:

4-[(diethoxyphosphinyl)methyl]benzoic acid (28149-48-6) + water (7732-18-5) → diethyl (4-(hydroxymethyl)benzyl)phosphonate (125185-26-4)

Guidance literature:

In tetrahydrofuran; diborane; dichloromethane;

Reference yield:

4-bromomethylbenzoic Acid (6232-88-8) → diethyl (4-(hydroxymethyl)benzyl)phosphonate (125185-26-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 77 percent / toluene / 18 h / Heating

2: BH₃ / tetrahydrofuran / 4 h / 20 °C

With borane; In tetrahydrofuran; toluene; 1: Arbuzov reaction;

DOI:10.1021/jo034946d

upstream raw materials:

4-[(diethoxyphosphinyl)methyl]benzoic acid

4-bromomethylbenzoic Acid

water

Downstream raw materials:

(4-formylphenyl)methylphosphonic acid diethyl ester

5-[4-(diethoxyphosphorylmethyl)phenyl]dipyrromethane