Dimethyl Phenylphosphonate

Base Information

• Chemical Name: Dimethyl Phenylphosphonate
• CAS No.: 2240-41-7
• Molecular Formula: C8H11 O3 P
• Molecular Weight: 186.147
• Hs Code.: 2931499090
• NSC Number: 62258
• DSSTox Substance ID: DTXSID20176933
• Nikkaji Number: J150.754K
• Wikidata: Q72471377
• Mol file: 2240-41-7.mol

Synonyms:Dimethyl Phenylphosphonate;2240-41-7;dimethoxyphosphorylbenzene;Phenylphosphonic acid dimethyl ester;Dimethyl benzenephosphonate;O,O-Dimethyl phenylphosphonate;C8H11O3P;Dimethylphenylphosphonate;Phosphonic acid, phenyl-, O,O-dimethyl ester;BRN 0639039;Phosphonic acid, phenyl-, dimethyl ester;0-16-00-00804 (Beilstein Handbook Reference);NCIOpen2_000001;Dimethoxyphenylphosphine oxide;SCHEMBL499887;o,o-Dimethyl benzene phosphonate;OXDOANYFRLHSML-UHFFFAOYSA-;DTXSID20176933;CAA24041;NSC62258;Benzenephosphonic Acid Dimethyl Ester;MFCD00059292;NSC 62258;NSC-62258;phenyl-phosphonic acid dimethyl ester;AKOS006230179;CS-W022633;Phosphonic acid,p-phenyl-,dimethyl ester;BP-21368;LS-106747;FT-0731949;P0332;D77928;10.14272/OXDOANYFRLHSML-UHFFFAOYSA-N.1;A878543;doi:10.14272/OXDOANYFRLHSML-UHFFFAOYSA-N.1

Chemical Property of Dimethyl Phenylphosphonate

Chemical Property:

• Refractive Index: 1.5080 to 1.5100
• Boiling Point: 247°Cat760mmHg
• Flash Point: 117.3°C
• Density: 1.15g/cm³
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 186.04458121
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

98%,99%, ^*data from raw suppliers

Dimethyl Phenylphosphonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dimethyl Phenylphosphonate

There total 70 articles about Dimethyl Phenylphosphonate 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: 96.0%

iodobenzene (591-50-4) + Dimethyl phosphite (868-85-9) → dimethyl phenylphosphonate (2240-41-7)

Guidance literature:

With chromium⁽⁰⁾ hexacarbonyl; trimethylamine; for 5h; Reagent/catalyst; Reflux;

DOI:10.1134/S1070428018110234

Reference yield: 93.0%

2-(trimethylsilyl)phenyl trifluoromethanesulfonate (88284-48-4) + Dimethyl phosphite (868-85-9) → dimethyl phenylphosphonate (2240-41-7)

Guidance literature:

With caesium carbonate; cesium fluoride; In acetonitrile; at 100 ℃; for 12h; Sealed tube;

DOI:10.1016/j.tet.2015.11.045

Reference yield: 90.0%

2-(trimethylsilyl)phenyl trifluoromethanesulfonate (88284-48-4) + phosphorous acid trimethyl ester (121-45-9) → dimethyl phenylphosphonate (2240-41-7)

Guidance literature:

With cesium fluoride; In acetonitrile; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1021/ol400780f

upstream raw materials:

P,P-dichlorophenylphosphine oxide

methanol

benzene

dimethyl acetylphosphonate

Downstream raw materials:

P,P-dichlorophenylphosphine oxide

dimethyl(phenyl)phosphine oxide

diethylphenylphosphine oxide

diisopropylphenylphosphine oxide

Refernces

• 1、 Chen, Shigui,Ruan, Yian,Brown, Jason D.,Hadad, Christopher M.,Badji, Jovica D.. "Recognition characteristics of an adaptive vesicular assembly of amphiphilic baskets for selective detection and mitigation of toxic nerve agents". . p. 17337 - 17342. Retrieved 2014.
• 2、 Cao, Jilei,Tang, Xinxin,Toh, Ren Wei,Wang, Han,Wu, Jie,Wu, Xiangyang,Xu, Jinhui,Yang, Xiaona,Yeow, Edwin K. L.,Zhou, Rong. "Unveiling Extreme Photoreduction Potentials of Donor-Acceptor Cyanoarenes to Access Aryl Radicals from Aryl Chlorides". supporting information. p. 13266 - 13273. Retrieved 2021/09/07.
• 3、 Hicks, Ian,McTague, Jonathan,Hapatsha, Tatiana,Teriak, Rania,Kaur, Parminder. "Cobalt catalyzed C-P bond formation by cross-coupling of boronic acids with P(O)H compounds in presence of zinc". . . Retrieved 2020/01/31.