Phosphonic acid, [[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]-, monoethyl ester

Base Information

Chemical Name:Phosphonic acid, [[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]-, monoethyl ester
CAS No.:116384-54-4
Molecular Formula:C10H16N5O4P
Molecular Weight:301.23900
Hs Code.:
DSSTox Substance ID:DTXSID301155679
Nikkaji Number:J592.490A
ChEMBL ID:CHEMBL54812
Mol file:116384-54-4.mol

Synonyms:Phosphonic acid,[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]-,monoethyl ester;[2-(6-Amino-purin-9-yl)-ethoxymethyl]-phosphonic acid monoethyl ester;

Suppliers and Price of Phosphonic acid, [[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]-, monoethyl ester

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
O-EthylAdefovir
50mg
$ 1250.00

Total 4 raw suppliers

Chemical Property of Phosphonic acid, [[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]-, monoethyl ester

Chemical Property:

Boiling Point:552.3±60.0 °C(Predicted)
PSA：135.19000
Density:1.62±0.1 g/cm3(Predicted)
LogP:1.18570
XLogP3:-1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:301.09399101
Heavy Atom Count:20
Complexity:361

Purity/Quality:

HPLC ≥ 98% ^*data from raw suppliers

O-EthylAdefovir ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)O
Uses O-Ethyl Adefovir is an intermediate in the synthesis of Mono-POM Ethyl Adefovir (M567050), which is an analogue of the antiviral drug Adefovir (A247500) with a mono-POM ester protecting group.

Technology Process of Phosphonic acid, [[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]-, monoethyl ester

There total 7 articles about Phosphonic acid, [[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]-, monoethyl 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: 77.0%

: 116384-53-3
[[2-(6-amino-9H-purine-9-yl)ethoxy]methyl]phosphonic acid diethyl ester

: 116384-54-4
Ethyl Ester of 9-(2-Phosphonylmethoxyethyl)adenine

Guidance literature:: With lithium azide; In N,N-dimethyl-formamide; at 100 ℃; for 3h;

Reference yield:

: 64-17-5
ethanol

: 106941-25-7
Adefovir

: 116384-54-4
Ethyl Ester of 9-(2-Phosphonylmethoxyethyl)adenine

Guidance literature:: With N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; In N,N-dimethyl-formamide; at 40 ℃; Inert atmosphere;

Reference yield:

: 100708-15-4
2-((diethoxyphosphoryl)methoxy)ethyl acetate

: 116384-54-4
Ethyl Ester of 9-(2-Phosphonylmethoxyethyl)adenine

Guidance literature:: Multi-step reaction with 4 steps

1: 99 percent / Dowex 50X₈ (H(+)-form) / ethanol / 30 h / Heating

2: 50 percent / CCl₄, triphenylphosphine / 4 h / Heating

3: 46 percent / NaH / dimethylformamide / 15 h / 80 °C

4: 74.5 percent / 0.5 mol l^-1 NaOH / 6 h / 80 °C

With tetrachloromethane; sodium hydroxide; sodium hydride; triphenylphosphine; Dowex 50x8 (H(+)-form); In ethanol; N,N-dimethyl-formamide;