5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one

Base Information

Chemical Name:5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one
CAS No.:72716-93-9
Molecular Formula:C11H11 N5 O3
Molecular Weight:261.24
Hs Code.:2933990090
European Community (EC) Number:276-781-9
DSSTox Substance ID:DTXSID30993532
Wikidata:Q82984224
Mol file:72716-93-9.mol

Synonyms:72716-93-9;EINECS 276-781-9;5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one;5-[(6-methyl-3-pyridyl)methyl]-2-(nitroamino)-1H-pyrimidin-4-one;SCHEMBL10620753;DTXSID30993532;KWBSLRQDOHBJPQ-UHFFFAOYSA-N;2-nitroamino-5-(6-methylpyrid-3-ylmethyl)-4(1H)-pyrimidone;2-nitroamino-5-(6-methyl-3-pyridyl)methyl-4-pyrimidone;2-nitroamino-5-(6-methyl-3-pyridylmethyl)-4-pyrimidone;2-nitroamino-5-(6-methylpyrid-3-ylmethyl)-4-pyrimidone;2-nitroamino-5-(6-methylpyrid-3-ylmethyl)pyrimid-4-one;2-nitroamino-5-(6-methylpyrid-3ylmethyl)-4-pyrimidone;2 -nitroamino-5-(6-methyl-3-pyridylmethyl)-4-pyrimidone;N-{4-Hydroxy-5-[(6-methylpyridin-3-yl)methyl]pyrimidin-2-yl}nitramide

Suppliers and Price of 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-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

Total 8 raw suppliers

Chemical Property of 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one

Chemical Property:

Vapor Pressure:8.53E-09mmHg at 25°C
Boiling Point:464.2°C at 760 mmHg
Flash Point:234.5°C
PSA：116.75000
Density:1.5g/cm³
LogP:1.67620
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:261.08618923
Heavy Atom Count:19
Complexity:440

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC=C(C=C1)CC2=CN=C(NC2=O)N[N+](=O)[O-]

Technology Process of 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one

There total 6 articles about 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-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: 27.0%

: 556-88-7
nitroguanidine

: 72716-92-8
2-formyl-3-(6-methyl-pyridin-3-yl)-propionic acid ethyl ester

: 72716-93-9
2-nitroamino-5-(6-methylpyrid-3-ylmethyl)-4(1H)-pyrimidone

Guidance literature:: With sodium methylate; sodium; In methanol; water;

Reference yield:

: 71351-48-9
3-(6-methyl-pyridin-3-yl)-propionic acid ethyl ester

: 109-94-4
formic acid ethyl ester

: 72716-93-9
2-nitroamino-5-(6-methylpyrid-3-ylmethyl)-4(1H)-pyrimidone

: 72716-92-8
2-formyl-3-(6-methyl-pyridin-3-yl)-propionic acid ethyl ester

Guidance literature:: In 1,2-dimethoxyethane;

Reference yield:

: 53014-84-9
2-methyl-5-formylpyridine

: 72716-93-9
2-nitroamino-5-(6-methylpyrid-3-ylmethyl)-4(1H)-pyrimidone

Guidance literature:: Multi-step reaction with 5 steps

1: pyridine, piperidine

2: conc. H₂SO₄

3: H₂ / 5percent Pd/C / ethanol / 45 °C

4: NaH / 1,2-dimethoxy-ethane / 20 h / Ambient temperature

5: sodium methoxide / methanol / 18 h / Heating

With piperidine; pyridine; sulfuric acid; hydrogen; sodium methylate; sodium hydride; palladium on activated charcoal; In methanol; 1,2-dimethoxyethane; ethanol;
DOI:10.1016/0223-5234(89)90166-9