Phosphonic acid, (3-oxo-1-phenylbutyl)-, diethyl ester

Base Information

• Chemical Name: Phosphonic acid, (3-oxo-1-phenylbutyl)-, diethyl ester
• CAS No.: 7749-88-4
• Molecular Formula: C14H21O4P
• Molecular Weight: 284.292
• DSSTox Substance ID: DTXSID80441533
• Nikkaji Number: J848.927K
• Mol file: 7749-88-4.mol

Synonyms:7749-88-4;SCHEMBL8352708;Phosphonic acid, (3-oxo-1-phenylbutyl)-, diethyl ester;DTXSID80441533;(1-Phenyl-3-oxobutyl)phosphonic acid diethyl ester

Chemical Property of Phosphonic acid, (3-oxo-1-phenylbutyl)-, diethyl ester

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 284.11774614
• Heavy Atom Count: 19
• Complexity: 313

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phosphonic acid, (3-oxo-1-phenylbutyl)-, diethyl ester

There total 6 articles about Phosphonic acid, (3-oxo-1-phenylbutyl)-, 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: 95.0%

phosphonic acid diethyl ester (762-04-9) + 1-Phenylbut-1-en-3-one (122-57-6) → O,O'-diethyl (3-oxo-1-phenylbutyl)phosphonate (7749-88-4)

Guidance literature:

With C₂₆H₅₃N₄NdSi₄; In toluene; at 40 ℃; for 2h; Inert atmosphere;

DOI:10.1021/om400409x

Reference yield: 65.0%

(Z)-4-phenylbut-3-en-2-one (937-53-1) + phosphonic acid diethyl ester (762-04-9) → O,O'-diethyl (3-oxo-1-phenylbutyl)phosphonate (7749-88-4)

Guidance literature:

With aluminum oxide; potassium hydroxide; In dichloromethane; at 100 ℃; for 0.0833333h;

DOI:10.1021/jo9622441

Reference yield:

1-Phenylbut-1-en-3-one (122-57-6) + triethyl phosphite (122-52-1) → O,O'-diethyl (3-oxo-1-phenylbutyl)phosphonate (7749-88-4)

Guidance literature:

With phenol;

DOI:10.1016/S0040-4020(01)99048-9

upstream raw materials:

1-Phenylbut-1-en-3-one

triethyl phosphite

phosphonic acid diethyl ester

(E)-benzalacetone

Downstream raw materials:

{3-[(E)-Benzhydrylimino]-1-phenyl-butyl}-phosphonic acid diethyl ester

1-Phenyl-3-oxo-butyl-phosphonsaeure

4-phenyl-4-phosphanyl-butan-2-ol