2-Amino-4-benzyloxy-6-methyl-5-nitropyrimidine

Base Information

Chemical Name:2-Amino-4-benzyloxy-6-methyl-5-nitropyrimidine
CAS No.:160948-33-4
Molecular Formula:C12H12 N4 O3
Molecular Weight:260.25
Hs Code.:
DSSTox Substance ID:DTXSID20437278
Nikkaji Number:J634.531J
Wikidata:Q82252756
ChEMBL ID:CHEMBL121414
Mol file:160948-33-4.mol

Synonyms:160948-33-4;4-(benzyloxy)-6-methyl-5-nitropyrimidin-2-amine;2-Amino-4-benzyloxy-6-methyl-5-nitropyrimidine;2-Pyrimidinamine,4-methyl-5-nitro-6-(phenylmethoxy)-;4-methyl-5-nitro-6-phenylmethoxypyrimidin-2-amine;2-Pyrimidinamine, 4-methyl-5-nitro-6-(phenylmethoxy)-;CHEMBL121414;SCHEMBL4068099;DTXSID20437278;QRPFYXCKZRCRTD-UHFFFAOYSA-N;MFCD25959683;AKOS037646476;AS-69077;CS-0328608;W13534;6-Methyl-5-nitro-4-(benzyloxy)pyrimidin-2-amine

Suppliers and Price of 2-Amino-4-benzyloxy-6-methyl-5-nitropyrimidine

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

Total 2 raw suppliers

Chemical Property of 2-Amino-4-benzyloxy-6-methyl-5-nitropyrimidine

Chemical Property:

Boiling Point:518.1±60.0 °C(Predicted)
PKA:2.69±0.10(Predicted)
PSA：107.58000
Density:1.362±0.06 g/cm3(Predicted)
LogP:2.30770
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:260.09094026
Heavy Atom Count:19
Complexity:304

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=NC(=N1)N)OCC2=CC=CC=C2)[N+](=O)[O-]

Technology Process of 2-Amino-4-benzyloxy-6-methyl-5-nitropyrimidine

There total 4 articles about 2-Amino-4-benzyloxy-6-methyl-5-nitropyrimidine 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: 33.0%

: 13162-24-8
2-amino-4-chloro-5-nitro-6-methylpyrimidine

: 100-51-6,185532-71-2
benzyl alcohol

: 160948-33-4
2-amino-4-(benzyloxy)-6-methyl-5-nitropyrimidine

Guidance literature:: With sodium; at 135 ℃; for 3.5h;
DOI:10.1021/jm00002a018

Reference yield:

: 299916-90-8
2-N-acetylamino-6-methyl-5-nitropyrimidin-4-one

: 20194-18-7
sodium phenyl-methanolate

: 160948-33-4
2-amino-4-(benzyloxy)-6-methyl-5-nitropyrimidine

Guidance literature:: 2-N-acetylamino-6-methyl-5-nitropyrimidin-4-one; With N,N-diethylaniline; trichlorophosphate; for 0.0833333h; Heating;

sodium phenyl-methanolate; In benzyl alcohol; for 1h;
DOI:10.1021/jo0155613

Reference yield:

: 4214-85-1
2-amino-6-methyl-5-nitro-4(3H)-oxopyrimidine

: 160948-33-4
2-amino-4-(benzyloxy)-6-methyl-5-nitropyrimidine

Guidance literature:: Multi-step reaction with 2 steps

1.1: Heating

2.1: POCl₃; N,N-diethylaniline / 0.08 h / Heating

2.2: 11.0 g / phenylmethanol / 1 h

With N,N-diethylaniline; trichlorophosphate;
DOI:10.1021/jo0155613