Diethyl (6-bromohexyl)phosphonate

Base Information

• Chemical Name: Diethyl (6-bromohexyl)phosphonate
• CAS No.: 100462-72-4
• Molecular Formula: C10H22BrO3P
• Molecular Weight: 301.161
• Mol file: 100462-72-4.mol

Synonyms:diethyl (6-bromohexyl)phosphonate;100462-72-4;diethyl 6-bromohexylphosphonate;1-bromo-6-diethoxyphosphorylhexane;SCHEMBL864014;Diethyl-6-bromohexylphosphonate;diethyl(6-bromohexyl)phosphonate;HIQKURBMYMZOMF-UHFFFAOYSA-N;MFCD00135788;BP-21660

Chemical Property of Diethyl (6-bromohexyl)phosphonate

Chemical Property:

• PSA: 45.34000
• LogP: 4.20780
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 300.04899
• Heavy Atom Count: 15
• Complexity: 178

Purity/Quality:

diethyl6-bromohexylphosphonate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOP(=O)(CCCCCCBr)OCC

Technology Process of Diethyl (6-bromohexyl)phosphonate

There total 4 articles about Diethyl (6-bromohexyl)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: 90.0%

1 ,6-dibromohexane (629-03-8) + triethyl phosphite (122-52-1) → diethyl (6-bromohexanyl)phosphonate (100462-72-4)

Guidance literature:

at 150 ℃; for 0.5h;

Reference yield:

1 ,6-dibromohexane (629-03-8) + triethyl phosphite (122-52-1) → tetraethyl hexane-1,6-diyldiphosphonate (5391-92-4) + diethyl (6-bromohexanyl)phosphonate (100462-72-4)

Guidance literature:

for 3h; Neat (no solvent); Heating;

Reference yield:

1 ,6-dibromohexane (629-03-8) + triethyl phosphate (78-40-0) → diethyl (6-bromohexanyl)phosphonate (100462-72-4)

Guidance literature:

for 5h; Reflux;

DOI:10.1155/2012/640317

upstream raw materials:

1 ,6-dibromohexane

triethyl phosphite

triethyl phosphate

Downstream raw materials:

L-2-amino-8-phosphonoctanoic acid

diethyl 6-(4-vinylphenoxy)hexylphosphonate

6-Bromohexyl Phosphonic Acid