(4-Methylsulfanyl-benzyl)-phosphonic acid dimethyl ester

Base Information

Chemical Name:(4-Methylsulfanyl-benzyl)-phosphonic acid dimethyl ester
CAS No.:481679-70-3
Molecular Formula:C10H15O3PS
Molecular Weight:246.267
Hs Code.:
DSSTox Substance ID:DTXSID10449749
Nikkaji Number:J1.915.127A
Wikidata:Q82269263
Mol file:481679-70-3.mol

Synonyms:481679-70-3;(4-methylsulfanyl-benzyl)-phosphonic acid dimethyl ester;SCHEMBL6181124;DTXSID10449749;NFPIJSPXTOOTDZ-UHFFFAOYSA-N;Dimethyl (4-methylthiobenzyl)phosphonate;[4-(Methylthio)benzyl]phosphonic acid dimethyl ester

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of (4-Methylsulfanyl-benzyl)-phosphonic acid dimethyl ester

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:246.04795251
Heavy Atom Count:15
Complexity:219

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of (4-Methylsulfanyl-benzyl)-phosphonic acid dimethyl ester

There total 4 articles about (4-Methylsulfanyl-benzyl)-phosphonic acid dimethyl ester 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%

: 38185-19-2
4-(methylthio)benzyl bromide

: 481679-70-3
dimethyl 4-(methylthio)phenylmethylphosphonate

Guidance literature:: With phosphorous acid trimethyl ester; at 120 ℃; Inert atmosphere;
DOI:10.1021/ja306212m

Reference yield: 95.0%

: 38185-19-2
4-(methylthio)benzyl bromide

: 121-45-9
phosphorous acid trimethyl ester

: 481679-70-3
dimethyl 4-(methylthio)phenylmethylphosphonate

Guidance literature:: at 120 ℃; for 10h;
DOI:10.1021/jo026907s

Reference yield:

: 3446-90-0
4-(methylthio)benzyl alcohol

: 481679-70-3
dimethyl 4-(methylthio)phenylmethylphosphonate

Guidance literature:: Multi-step reaction with 2 steps

1: 94 percent / HBr / H₂O; toluene / 1 h / 90 °C

2: 95 percent / 10 h / 120 °C

With hydrogen bromide; In water; toluene;
DOI:10.1021/jo026907s