Phosphonic acid, ((2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)-, (S)-

Base Information

Chemical Name:Phosphonic acid, ((2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)-, (S)-
CAS No.:113852-38-3
Molecular Formula:C₉H₁₅N₂O₇P
Molecular Weight:294.201
Hs Code.:
DSSTox Substance ID:DTXSID90150588
Wikidata:Q83016734
ChEMBL ID:CHEMBL2030735
Mol file:113852-38-3.mol

Synonyms:(S)-HPMPT;113852-38-3;(2S)-3-Hydroxy-2-phosphonylmethoxypropyl-thymine;Phosphonic acid, ((2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)-, (S)-;Phosphonic acid, [[2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, (S)-;CHEMBL2030735;DTXSID90150588;[(1S)-1-(hydroxymethyl)-2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)ethoxy]methylphosphonic acid

Suppliers and Price of Phosphonic acid, ((2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)-, (S)-

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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 Phosphonic acid, ((2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)-, (S)-

Chemical Property:

Density:1.533g/cm³
XLogP3:-3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:294.06168782
Heavy Atom Count:19
Complexity:444

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CN(C(=O)NC1=O)CC(CO)OCP(=O)(O)O
Isomeric SMILES:CC1=CN(C(=O)NC1=O)C[C@@H](CO)OCP(=O)(O)O

Technology Process of Phosphonic acid, ((2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)-, (S)-

There total 11 articles about Phosphonic acid, ((2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)-, (S)- 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:

: 25902-89-0
4-methoxy-5-methyl-pyrimidin-2(1H)-one

: 113852-38-3
(R)-1-[3-hydroxy-2-(phosphonomethoxy)propyl]thymine

Guidance literature:: Multi-step reaction with 4 steps

1.1: Cs₂CO₃ / dimethylformamide / 19 h / 70 - 80 °C

2.1: 55 percent / NaH / tetrahydrofuran / -20 - 20 °C

3.1: 51 percent / H₂; CH₃COOH / Pd/C / methanol / 24 h / 20 °C

4.1: bromotrimethylsilane / acetonitrile / 20 °C

4.2: Dowex 50 (H+) / H₂O / 3 h / 80 °C

With trimethylsilyl bromide; hydrogen; sodium hydride; caesium carbonate; acetic acid; palladium on activated charcoal; In tetrahydrofuran; methanol; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1135/cccc20051465

Reference yield:

: 913274-73-4
(R)-1-{2-[(diisopropoxyphosphoryl)methoxy]-3-hydroxypropyl}-4-methoxy-5-methylpyrimidin-2(1H)-one

: 113852-38-3
(R)-1-[3-hydroxy-2-(phosphonomethoxy)propyl]thymine

Guidance literature:: (R)-1-{2-[(diisopropoxyphosphoryl)methoxy]-3-hydroxypropyl}-4-methoxy-5-methylpyrimidin-2(1H)-one; With trimethylsilyl bromide; In acetonitrile; at 20 ℃;

With Dowex 50 (H+); In water; at 80 ℃; for 3h;
DOI:10.1135/cccc20051465

Reference yield:

: 913274-89-2
(S)-1-{2-[(diisopropoxyphosphoryl)methoxy]-3-hydroxypropyl}thymine

: 113852-38-3
(S)-1-[3-hydroxy-2-(phosphonomethoxy)propyl]thymine

Guidance literature:: (S)-1-{2-[(diisopropoxyphosphoryl)methoxy]-3-hydroxypropyl}thymine; With trimethylsilyl bromide; In acetonitrile; at 20 ℃;

With Dowex 50 (H+); In water; at 80 ℃; for 3h;
DOI:10.1135/cccc20051465