6-AMINO-1-METHYL-5-NITROSOURACIL

Base Information

• Chemical Name: 6-AMINO-1-METHYL-5-NITROSOURACIL
• CAS No.: 6972-78-7
• Molecular Formula: C5H6 N4 O3
• Molecular Weight: 170.128
• Hs Code.: 29335990
• European Community (EC) Number: 230-213-6
• NSC Number: 62582
• DSSTox Substance ID: DTXSID50220014
• Nikkaji Number: J266.024E
• Wikidata: Q72439755
• ChEMBL ID: CHEMBL529879
• Mol file: 6972-78-7.mol

Synonyms:Uracil,6-amino-1-methyl-5-nitroso- (7CI);3-Methyl-4-amino-5-nitrosouracil;6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione;6-Amino-1-methyl-5-nitrosopyrimidine-2,4-dione;6-Amino-1-methyl-5-nitrosouracil;NSC 62582;

Chemical Property of 6-AMINO-1-METHYL-5-NITROSOURACIL

Chemical Property:

• Appearance/Colour: crystalline powder
• Melting Point: >300 °C(lit.)
• Refractive Index: 1.742
• PKA: 7.08±0.40(Predicted)
• PSA: 110.31000
• Density: 1.83
• LogP: -0.36510
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 170.04399007
• Heavy Atom Count: 12
• Complexity: 295

Purity/Quality:

98.0%Min ^*data from raw suppliers

6-Amino-1-methyl-5-nitrosouracil ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1C(=C(C(=O)NC1=O)N=O)N
• Uses: 6-Amino-1-methyl-5-nitrosouracil is known to exhibit anitmicrobial activity and form complexation with platinum (II).

Technology Process of 6-AMINO-1-METHYL-5-NITROSOURACIL

There total 7 articles about 6-AMINO-1-METHYL-5-NITROSOURACIL 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: 99.8%

6-amino-1-methyluracil (2434-53-9) → 6-amino-1-methyl-5-nitrosouracil (6972-78-7)

Guidance literature:

With acetic acid; sodium nitrite; In water; at 20 - 50 ℃; for 4h;

DOI:10.1002/jlcr.1154

Reference yield:

C5H6N4O3*Cu(2+)*3H2O*ClO4(1-) → 6-amino-1-methyl-5-nitrosouracil (6972-78-7)

Guidance literature:

With ethylenediaminetetraacetic acid; In water;

DOI:10.1039/c4ra10419f

Reference yield:

N-(cyano-hydroxyimino-acetyl)-N'-methyl-urea (59653-14-4) → 6-amino-1-methyl-5-nitrosouracil (6972-78-7)

Guidance literature:

With sodium hydroxide; Ansaeuern mit Essigsaeure;

upstream raw materials:

N-(cyano-hydroxyimino-acetyl)-N'-methyl-urea

1-Methyl-6-imino-uracil

6-amino-1-methyluracil

N-acetyl-N'-methylurea

Downstream raw materials:

3-methylxanthine

5,6-diamino-1-methyluracil

3-methyl-6-methylsulfanyl-8-phenyl-3,7-dihydro-purin-2-one

3-methyl-8-phenyl-6-thioxo-1,3,6,7-tetrahydro-purin-2-one

Refernces

• 1、 Brockmann, Andreas,Doroz-P?onka, Agata,Ja?ko, Piotr,Kie?-Kononowicz, Katarzyna,Kuder, Kamil J.,Latacz, Gniewomir,Müller, Christa E.,Olejarz-Maciej, Agnieszka,Schabikowski, Jakub,Za?uski, Micha?. "Novel, Dual Target-Directed Annelated Xanthine Derivatives Acting on Adenosine Receptors and Monoamine Oxidase B". . . Retrieved 2020/04/20.
• 2、 -. "Linagliptin intermediate compound V". Paragraph 0185; 0187; 0196-0197. . Retrieved 2020/09/09.