6-(Diethylphosphono)-hexanoic acid ethyl ester

Base Information

• Chemical Name: 6-(Diethylphosphono)-hexanoic acid ethyl ester
• CAS No.: 54965-29-6
• Molecular Formula: C12H25O5P
• Molecular Weight: 280.3
• Hs Code.: 2931900090
• Mol file: 54965-29-6.mol

Synonyms:6-(Diethylphosphono)-hexanoic acid ethyl ester;Ethyl 6-(diethylphosphono)hexanoate

Chemical Property of 6-(Diethylphosphono)-hexanoic acid ethyl ester

Chemical Property:

• Refractive Index: n20/D 1.441
• Boiling Point: 114-118/0.3 mmHg
• Flash Point: 110 °C
• PSA: 71.64000
• Density: 1.040 g/mL at 25 °C
• LogP: 3.37600

Purity/Quality:

98+% ^*data from raw suppliers

Ethyl 6-(diethylphosphono)hexanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: Ethyl 6-(Diethylphosphono)hexanoate is an essential oil component from the flowers of Alstonia scholaris in Bangladesh.

Technology Process of 6-(Diethylphosphono)-hexanoic acid ethyl ester

There total 2 articles about 6-(Diethylphosphono)-hexanoic acid ethyl 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: 100.0%

triethyl phosphate (78-40-0) + 6-bromo-hexanoic acid ethyl ester (25542-62-5) → 6-(diethoxyphosphoryl)hexanoic acid ethyl ester (54965-29-6)

Guidance literature:

at 160 ℃; for 14h; Inert atmosphere;

Reference yield: 84.0%

6-bromo-hexanoic acid ethyl ester (25542-62-5) + triethyl phosphite (122-52-1) → 6-(diethoxyphosphoryl)hexanoic acid ethyl ester (54965-29-6)

Guidance literature:

at 155 ℃; for 12h;

DOI:10.1002/(SICI)1521-3765(20000502)6:9<1656::AID-CHEM1656>3.3.CO;2-1

Reference yield: 86.0%

6-(diethoxyphosphoryl)hexanoic acid ethyl ester (54965-29-6) + sodium phenoxide (139-02-6) → ethyl 6-(ethoxy(phenoxy)phosphoryl)hexanoate

Guidance literature:

6-(diethoxyphosphoryl)hexanoic acid ethyl ester; With 2-iodopyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at 0 ℃; for 0.5h; Inert atmosphere;

With tetraethylammonium chloride; In dichloromethane; at 0 ℃; for 0.25h; Inert atmosphere;

sodium phenoxide; In tetrahydrofuran; dichloromethane; at 20 ℃; chemoselective reaction; Inert atmosphere;

DOI:10.1002/anie.201806343

upstream raw materials:

6-bromo-hexanoic acid ethyl ester

triethyl phosphite

triethyl phosphate

Downstream raw materials:

6-phosphonohexanoic acid

6-[Hydroxy(4-nitrobenzyloxy)phosphoryl]hexanoic acid

4-Nitrobenzyl 6-[bis(4-nitrobenzyloxy)phosphoryl]hexanoate