Diethyl-5-bromopentylphosphonate

Base Information

• Chemical Name: Diethyl-5-bromopentylphosphonate
• CAS No.: 42757-42-6
• Molecular Formula: C9H20 Br O3 P
• Molecular Weight: 287.13
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID00448549
• Nikkaji Number: J1.238.278B
• Wikidata: Q82267598
• Mol file: 42757-42-6.mol

Synonyms:42757-42-6;Diethyl-5-bromopentanephosphonic acid;DIETHYL-5-BROMOPENTYLPHOSPHONATE;diethyl 5-bromopentanephosphonate;diethyl (5-bromopentyl)phosphonate;diethyl 5-bromopentylphosphonate;SCHEMBL1527541;DTXSID00448549;GSSVPYDPBHEDBM-UHFFFAOYSA-N;(5-Bromopentyl)phosphonic acid diethyl ester

Chemical Property of Diethyl-5-bromopentylphosphonate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.457
• Boiling Point: 326.967°C at 760 mmHg
• Flash Point: 151.545°C
• PSA: 45.34000
• Density: 1.264g/cm³
• LogP: 3.81770
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 286.03334
• Heavy Atom Count: 14
• Complexity: 165

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diethyl-5-bromopentylphosphonate

There total 4 articles about Diethyl-5-bromopentylphosphonate 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: 94.0%

1,5-dibromo-pentane (111-24-0) + triethyl phosphite (122-52-1) → diethyl 5-bromopentanephosphonate (42757-42-6)

Guidance literature:

for 0.0833333h; Irradiation;

DOI:10.1080/10426509808032465

Reference yield: 14.0%

1,5-dibromo-pentane (111-24-0) + phosphonic acid diethyl ester (762-04-9) → diethyl 5-bromopentanephosphonate (42757-42-6)

Guidance literature:

phosphonic acid diethyl ester; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 2h; Reflux; Inert atmosphere;

1,5-dibromo-pentane; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1002/anie.201806343

Reference yield:

1,5-dibromo-pentane (111-24-0) + triethyl phosphate (78-40-0) → diethyl 5-bromopentanephosphonate (42757-42-6)

Guidance literature:

for 5h; Reflux;

DOI:10.1155/2012/640317

upstream raw materials:

1,5-dibromo-pentane

triethyl phosphite

triethyl phosphate

phosphonic acid diethyl ester

Downstream raw materials:

L-2-amino-7-phosphonoheptanoic acid

(2R)-2-amino-7-phosphonoheptanoic acid

C₂₇H₃₄NO₄P