2-Nitropyrimidine

Base Information

Chemical Name:2-Nitropyrimidine
CAS No.:630123-58-9
Molecular Formula:C26H36N6O6
Molecular Weight:528.608
Hs Code.:
European Community (EC) Number:619-790-9
DSSTox Substance ID:DTXSID10515271
Nikkaji Number:J993.827C
Wikidata:Q82376063

Synonyms:nitropyrimidine;2-Nitropyrimidine;55133-62-5;SCHEMBL57064;DTXSID10515271;UQOKRDJILZMZKU-UHFFFAOYSA-N

Suppliers and Price of 2-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
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price

Total 0 raw suppliers

Chemical Property of 2-Nitropyrimidine

Chemical Property:

XLogP3:0.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:125.022526347
Heavy Atom Count:9
Complexity:105

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CN=C(N=C1)[N+](=O)[O-]

Technology Process of 2-Nitropyrimidine

There total 3 articles about 2-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: 94.0%

: 1192-63-8
1-pyrrolidinecarbonyl chloride

: 630118-51-3
N-(2-[N',N'-diethylamino]-5-nitropyrimidin-4-yl)-L-tyrosine tert-butyl ester

: 630123-58-9
N-(2-[N',N'-diethylamino]-5-nitropyrimidin-4-yl)-4'-(pyrrolidin-1-ylcarbonyloxy)-L-phenylalanine tert-butyl ester

Guidance literature:: With dmap; triethylamine; In dichloromethane; at 40 ℃;

Reference yield:

: 16874-12-7,87553-74-0
Tyr(tBu)

: 630123-58-9
N-(2-[N',N'-diethylamino]-5-nitropyrimidin-4-yl)-4'-(pyrrolidin-1-ylcarbonyloxy)-L-phenylalanine tert-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: N,N-diethyl-N-isopropylamine / tetrahydrofuran

2: isopropyl alcohol

3: triethylamine / dichloromethane

With N,N-diethyl-N-isopropylamine; triethylamine; In tetrahydrofuran; dichloromethane; isopropyl alcohol;
DOI:10.1016/j.bmcl.2013.03.010

Reference yield:

: C₁₇H₁₉ClN₄O₅

: 630123-58-9
N-(2-[N',N'-diethylamino]-5-nitropyrimidin-4-yl)-4'-(pyrrolidin-1-ylcarbonyloxy)-L-phenylalanine tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: isopropyl alcohol

2: triethylamine / dichloromethane

With triethylamine; In dichloromethane; isopropyl alcohol;
DOI:10.1016/j.bmcl.2013.03.010