1-Bromo-4-(dimethoxyphosphorylmethyl)benzene

Base Information

• Chemical Name: 1-Bromo-4-(dimethoxyphosphorylmethyl)benzene
• CAS No.: 17211-08-4
• Molecular Formula: C9H12 Br O3 P
• Molecular Weight: 279.07
• Hs Code.: 2931900090
• European Community (EC) Number: 870-415-7
• DSSTox Substance ID: DTXSID20378692
• Nikkaji Number: J781.737A
• Wikidata: Q82168216
• Mol file: 17211-08-4.mol

Synonyms:17211-08-4;Dimethyl (4-bromobenzyl)phosphonate;1-bromo-4-(dimethoxyphosphorylmethyl)benzene;Dimethyl(4-bromobenzyl)phosphonate;dimethyl [(4-bromophenyl)methyl]phosphonate;Phosphonic acid,P-[(4-bromophenyl)methyl]-, dimethyl ester;Dimethyl 4-bromobenzylphosphonate;C9H12BrO3P;DTXSID20378692;MFCD03411188;AKOS015909320;PS-11396;4-Bromobenzylphosphonic acid dimethyl ester;EN300-25109671

Chemical Property of 1-Bromo-4-(dimethoxyphosphorylmethyl)benzene

Chemical Property:

• PSA: 45.34000
• LogP: 3.43500
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 277.97074
• Heavy Atom Count: 14
• Complexity: 206

Purity/Quality:

98% ^*data from raw suppliers

Dimethyl (4-bromobenzyl)phosphonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=O)(CC1=CC=C(C=C1)Br)OC

Technology Process of 1-Bromo-4-(dimethoxyphosphorylmethyl)benzene

There total 4 articles about 1-Bromo-4-(dimethoxyphosphorylmethyl)benzene 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: 98.0%

1-bromomethyl-4-bromobenzene (589-15-1) + phosphorous acid trimethyl ester (121-45-9) → (4-bromo-benzyl)-phosphonic acid dimethyl ester (17211-08-4)

Guidance literature:

Heating;

DOI:10.1016/S0040-4020(97)10395-7

Reference yield: 3.0%

Dimethyl phosphite (868-85-9) + 1-bromomethyl-4-bromobenzene (589-15-1) → para-bromotoluene (106-38-7) + (4-bromo-benzyl)-phosphonic acid dimethyl ester (17211-08-4)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 3h; Ambient temperature;

DOI:10.1080/10426509608029649

Reference yield:

1-bromomethyl-4-bromobenzene (589-15-1) + triethyl phosphite (122-52-1) → (4-bromo-benzyl)-phosphonic acid dimethyl ester (17211-08-4)

Guidance literature:

In tetrahydrofuran; at 70 ℃; for 24h;

DOI:10.1016/j.dyepig.2015.08.018

upstream raw materials:

1-bromomethyl-4-bromobenzene

phosphorous acid trimethyl ester

Dimethyl phosphite

trimethyl phosphite

Downstream raw materials:

(5E,7E)-8-((4'-bromophenyl)octa-5,7-dienyloxyl)-(tert-butyl)dimethylsilane

1-bromo-4-(2,2-diphenylvinyl)benzene

1-[4-(2,2-diphenylvinyl)phenyl]pyrene

1,1-diphenyl-2-(4-dihydroxyboronphenyl)-ethene

Refernces

• 1、 Agnihotri, Harsha,Mahalingavelar, Paramasivam,Mande, Hemant,Ghalsasi, Prasanna,Kanvah, Sriram. "Amino substituted 4-pyridylbutadienes: Synthesis and fluorescence investigations". . p. 341 - 348. Retrieved 2015/09/07.
• 2、 Lei, Yao,Wrobleski, Aaron D.,Golden, Jennifer E.,Powell, Douglas R.,Aube, Jeffrey. "Facile C-N cleavage in a series of bridged lactams". . p. 4552 - 4553. Retrieved 2007/10/03.