Diethyl 3-Bromobenzylphosphonate

Base Information

• Chemical Name: Diethyl 3-Bromobenzylphosphonate
• CAS No.: 128833-03-4
• Molecular Formula: C11H16BrO3P
• Molecular Weight: 307.124
• Hs Code.: 2931599090
• European Community (EC) Number: 802-998-0
• Mol file: 128833-03-4.mol

Synonyms:Diethyl 3-Bromobenzylphosphonate;128833-03-4;1-bromo-3-(diethoxyphosphorylmethyl)benzene;Phosphonic acid, P-[(3-bromophenyl)methyl]-, diethyl ester;Diethyl (3-bromobenzyl)phosphonate;MFCD07772009;diethyl [(3-bromophenyl)methyl]phosphonate;Diethyl3-Bromobenzylphosphonate;Diethyl m-bromobenzylphosphonate;SCHEMBL1307260;KVNNRCDDRDXWIW-UHFFFAOYSA-N;AC3665;AKOS005068247;Diethyl 3-bromobenzylphosphonate, 97%;AS-70718;Diethyl[(3-bromophenyl)methyl]phosphonate;SY021229;CS-0187357;A888968;[(3-Bromophenyl)methyl]phosphonic acid diethyl ester

Chemical Property of Diethyl 3-Bromobenzylphosphonate

Chemical Property:

• Refractive Index: n20/D1.523
• Boiling Point: 376.023 °C at 760 mmHg
• Flash Point: 181.212 °C
• PSA: 45.34000
• Density: 1.366 g/cm³
• LogP: 4.21520
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 306.00204
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

98% ^*data from raw suppliers

Diethyl 3-bromobenzylphosphonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CC1=CC(=CC=C1)Br)OCC
• Uses: Diethyl 3-Bromobenzylphosphonate acts as a regent in the conversion of benzylic and allylic alcohols to phosphonates.

Technology Process of Diethyl 3-Bromobenzylphosphonate

There total 11 articles about Diethyl 3-Bromobenzylphosphonate 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) + meta-bromobenzyl bromide (823-78-9) → P-[(3-bromophenyl)methyl]phosphonic acid diethyl ester (128833-03-4)

Guidance literature:

at 160 ℃; for 2h;

Reference yield: 100.0%

→ P-[(3-bromophenyl)methyl]phosphonic acid diethyl ester (128833-03-4)

Guidance literature:

Reference yield: 98.0%

meta-bromobenzyl bromide (823-78-9) + triethyl phosphite (122-52-1) → P-[(3-bromophenyl)methyl]phosphonic acid diethyl ester (128833-03-4)

Guidance literature:

at 130 ℃;

upstream raw materials:

meta-bromobenzyl bromide

triethyl phosphite

meta-bromotoluene

(3-Bromophenyl)methanol

Downstream raw materials:

trans-1,2-bis(3-bromophenyl)ethene

2-(3-bromophenethyl)benzoic acid

o-phenethylbenzoic acid

2-phenyl-10,11-dihydro-dibenzo[a,d]cyclohepten-5-one

Refernces

• 1、 Beletskaya, Irina P.,Titanyuk, Igor D.. "Synthesis of α-Aryldiazophosphonates via a Diazo Transfer Reaction". . p. 2748 - 2757. Retrieved 2022/03/14.
• 2、 -. "Novel phenanthrene compounds, a method of making the same and organic electronic devices using the same". Page/Page column 21; 22; 31; 35; 37. . Retrieved 2019/10/22.