2-Amino-5-(benzyloxy)pyrimidin-4(3h)-one

Base Information

Chemical Name:2-Amino-5-(benzyloxy)pyrimidin-4(3h)-one
CAS No.:93534-87-3
Molecular Formula:C11H11N3O2
Molecular Weight:217.2239
Hs Code.:2933599090
NSC Number:94995
DSSTox Substance ID:DTXSID70294176
Wikidata:Q82033303
ChEMBL ID:CHEMBL4239465
Mol file:93534-87-3.mol

Synonyms:2-amino-5-(benzyloxy)pyrimidin-4(3h)-one;93534-87-3;2-amino-5-phenylmethoxy-1H-pyrimidin-6-one;2-amino-5-(benzyloxy)pyrimidin-4-ol;NSC94995;Maybridge3_000853;2-amino-5-(benzyloxy)-3,4-dihydropyrimidin-4-one;CHEMBL4239465;SCHEMBL12959069;DTXSID70294176;HMS1433G17;MFCD24389439;NSC-94995;CCG-242576;SB60171;IDI1_012240;AS-64599;W13331

Suppliers and Price of 2-Amino-5-(benzyloxy)pyrimidin-4(3h)-one

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

Crysdot
2-amino-5-(benzyloxy)pyrimidin-4(3H)-one 95+%
1g
$ 762.00

Chemenu
2-amino-5-(benzyloxy)pyrimidin-4(3H)-one 95%
1g
$ 720.00

Alichem
2-amino-5-(benzyloxy)pyrimidin-4(3H)-one
1g
$ 651.00

Total 6 raw suppliers

Chemical Property of 2-Amino-5-(benzyloxy)pyrimidin-4(3h)-one

Chemical Property:

Vapor Pressure:1.41E-09mmHg at 25°C
Boiling Point:473.2°Cat760mmHg
PKA:8.77±0.50(Predicted)
Flash Point:240°C
PSA：81.00000
Density:1.33g/cm³
LogP:1.51230
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:217.085126602
Heavy Atom Count:16
Complexity:330

Purity/Quality:

98% ^*data from raw suppliers

2-amino-5-(benzyloxy)pyrimidin-4(3H)-one 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)COC2=CN=C(NC2=O)N

Technology Process of 2-Amino-5-(benzyloxy)pyrimidin-4(3h)-one

There total 6 articles about 2-Amino-5-(benzyloxy)pyrimidin-4(3h)-one 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:

: 593-85-1,90332-86-8,3425-08-9
guanidine carbonate

: 32122-09-1
ethyl benzyloxyacetate

: 109-94-4
formic acid ethyl ester

: 93534-87-3
2-amino-5-(benzyloxy)pyrimidin-4-ol

Guidance literature:: ethyl benzyloxyacetate; formic acid ethyl ester; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; for 5h;

guanidine carbonate; With sodium methylate; In tetrahydrofuran; ethanol; mineral oil; for 15h; Reflux;

With acetic acid; In water; pH=5;

Reference yield:

: 100-39-0
benzyl bromide

: 93534-87-3
2-amino-5-(benzyloxy)pyrimidin-4-ol

Guidance literature:: Multi-step reaction with 2 steps

1.1: tetra-(n-butyl)ammonium iodide; sodium hydride / tetrahydrofuran; mineral oil / 16 h / 0 - 25 °C

2.1: sodium hydride; formic acid ethyl ester / tetrahydrofuran; mineral oil / 5 h / 0 - 20 °C / Cooling with ice

2.2: 16 h / 20 °C / Reflux

With tetra-(n-butyl)ammonium iodide; sodium hydride; formic acid ethyl ester; In tetrahydrofuran; mineral oil;

Reference yield:

: 593-85-1,90332-86-8,3425-08-9
guanidine carbonate

: 100117-99-5
2-benzyloxy-3-oxo-propionic acid ethyl ester

: 93534-87-3
2-amino-5-(benzyloxy)pyrimidin-4-ol

Guidance literature:: guanidine carbonate; With sodium ethanolate; In ethanol; at 20 ℃; for 1h;

2-benzyloxy-3-oxo-propionic acid ethyl ester; In tetrahydrofuran; ethanol; for 15h; Reflux;
DOI:10.1021/acs.jmedchem.6b00747