4-Amino-5-benzyl-1H-pyrimidin-2-one

Base Information

Chemical Name:4-Amino-5-benzyl-1H-pyrimidin-2-one
CAS No.:108044-72-0
Molecular Formula:C11H11 N3 O
Molecular Weight:201.22
Hs Code.:2933599090
DSSTox Substance ID:DTXSID70478878
Nikkaji Number:J2.289.669E
Mol file:108044-72-0.mol

Synonyms:108044-72-0;4-AMINO-5-BENZYL-1H-PYRIMIDIN-2-ONE;6-amino-5-benzyl-1H-pyrimidin-2-one;4-Amino-5-benzylpyrimidin-2(1H)-one;2(1H)-Pyrimidinone,6-amino-5-(phenylmethyl)-;SCHEMBL5727148;DTXSID70478878;FT-0702349

Suppliers and Price of 4-Amino-5-benzyl-1H-pyrimidin-2-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

American Custom Chemicals Corporation
4-AMINO-5-BENZYL-1H-PYRIMIDIN-2-ONE 98.00%
5MG
$ 502.17

Total 1 raw suppliers

Chemical Property of 4-Amino-5-benzyl-1H-pyrimidin-2-one

Chemical Property:

Melting Point:315 °C (decomp)
Boiling Point:°Cat760mmHg
PKA:9.01±0.10(Predicted)
Flash Point:°C
PSA：71.77000
Density:1.28g/cm³
LogP:1.52410
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:201.090211983
Heavy Atom Count:15
Complexity:314

Purity/Quality:: 4-AMINO-5-BENZYL-1H-PYRIMIDIN-2-ONE 98.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CC2=C(NC(=O)N=C2)N

Technology Process of 4-Amino-5-benzyl-1H-pyrimidin-2-one

There total 9 articles about 4-Amino-5-benzyl-1H-pyrimidin-2-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: 42.0%

: (E)-2-Benzyl-3-ethoxy-acrylonitrile

: 57-13-6
urea

: 108044-72-0
4-amino-5-benzyl-1H-pyrimidin-2-one

Guidance literature:: With sodium ethanolate; In ethanol; at 90 ℃; for 3h;
DOI:10.1021/ol052876m

Reference yield: 39.0%

: 76877-59-3
(E)-2-Benzyl-3-ethoxy-acrylonitrile

: 57-13-6
urea

: 108044-72-0
4-amino-5-benzyl-1H-pyrimidin-2-one

Guidance literature:: With sodium ethanolate; In ethanol; Heating;

Reference yield:

: 100-39-0
benzyl bromide

: 108044-72-0
4-amino-5-benzyl-1H-pyrimidin-2-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 0.33 h / -78 °C

1.2: 41 percent / tetrahydrofuran; hexane / 5 h / -78 - 0 °C

2.1: 42 percent / sodium ethoxide / ethanol / 3 h / 90 °C

With n-butyllithium; sodium ethanolate; In tetrahydrofuran; ethanol; hexane;
DOI:10.1021/ol052876m