Diethyl [2-(indol-3-yl)-2-oxoethyl]phosphonate

Base Information

• Chemical Name: Diethyl [2-(indol-3-yl)-2-oxoethyl]phosphonate
• CAS No.: 850231-86-6
• Molecular Formula: C₁₄H₁₈NO₄P
• Molecular Weight: 295.275
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID80472241
• Nikkaji Number: J2.150.777F
• Wikidata: Q82301055
• Mol file: 850231-86-6.mol

Synonyms:850231-86-6;Diethyl [2-(indol-3-yl)-2-oxoethyl]phosphonate;Diethyl (2-(1H-indol-3-yl)-2-oxoethyl)phosphonate;2-diethoxyphosphoryl-1-(1H-indol-3-yl)ethanone;Diethyl [2-(1H-indol-3-yl)-2-oxoethyl]phosphonate;Diethyl[2-(indol-3-yl)-2-oxoethyl]phosphonate;DTXSID80472241;AKOS015854406;FT-0678210;Diethyl(2-(1H-indol-3-yl)-2-oxoethyl)phosphonate

Chemical Property of Diethyl [2-(indol-3-yl)-2-oxoethyl]phosphonate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.569
• Boiling Point: 483.909°C at 760 mmHg
• Flash Point: 246.46°C
• PSA: 78.20000
• Density: 1.25g/cm³
• LogP: 3.61670
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 295.09734505
• Heavy Atom Count: 20
• Complexity: 377

Purity/Quality:

98%Min ^*data from raw suppliers

Diethyl [2-(indol-3-yl)-2-oxoethyl]phosphonate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CC(=O)C1=CNC2=CC=CC=C21)OCC

Technology Process of Diethyl [2-(indol-3-yl)-2-oxoethyl]phosphonate

There total 1 articles about Diethyl [2-(indol-3-yl)-2-oxoethyl]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: 29.0%

indole (120-72-9) + diethylphosphonoacetic acid (3095-95-2) → diethyl 2-(1H-indol-3-yl)-2-oxoethylphosphonate (850231-86-6)

Guidance literature:

With acetic anhydride; In acetic acid; for 4h; Heating;

DOI:10.1002/jhet.5570420122

upstream raw materials:

indole

diethylphosphonoacetic acid