6-Amino-1-isobutyl-3-methyl-5-nitrosouracil

Base Information

• Chemical Name: 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil
• CAS No.: 54052-67-4
• Molecular Formula: C9H14N4O3
• Molecular Weight: 226.235
• Hs Code.: 2933599090
• European Community (EC) Number: 258-937-8
• NSC Number: 677521
• DSSTox Substance ID: DTXSID30202378
• Nikkaji Number: J279.568J
• Wikidata: Q83075654
• Mol file: 54052-67-4.mol

Synonyms:54052-67-4;6-Amino-1-isobutyl-3-methyl-5-nitroso-2,4-pyrimidinedione;6-Amino-1-isobutyl-3-methyl-5-nitrosouracil;6-amino-3-methyl-1-(2-methylpropyl)-5-nitrosopyrimidine-2,4-dione;NSC677521;EINECS 258-937-8;6-amino-3-methyl-1-(2-methylpropyl)-5-nitroso-1,2,3,4-tetrahydropyrimidine-2,4-dione;6-amino-1-isobutyl-3-methyl-5-nitrosopyrimidine-2,4(1h,3h)-dione;DTXSID30202378;AKOS001287668;AKOS024319381;AKOS030739260;NSC-677521;CS-0274278;FT-0661865;1-Isobutyl-3-methyl-5-nitroso-6-aminouracil;3-methyl-1-isobutyl-5-nitroso-6-aminouracil;EN300-23869;Z210803758;6-amino-1-isobutyl-3-methyl-5-nitroso-pyrimidine-2,4-dione;6-Amino-1-isobutyl-3-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione;6-Amino-3-methyl-1-(2-methylpropyl)-5-nitroso-2,4(1H,3H)-pyrimidinedione;5-(hydroxyimino)-6-imino-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione

Chemical Property of 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil

Chemical Property:

• Appearance/Colour: Purple Crystals
• Vapor Pressure: 0.00262mmHg at 25°C
• Melting Point: 217-220 °C
• Refractive Index: 1.615
• Boiling Point: 286.5 °C at 760 mmHg
• Flash Point: 127.1 °C
• PSA: 99.45000
• Density: 1.4 g/cm³
• LogP: 0.76430
• Storage Temp.: Refrigerator
• Solubility.: DMSO, Methanol
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 226.10659032
• Heavy Atom Count: 16
• Complexity: 375

Purity/Quality:

98%Min ^*data from raw suppliers

6-Amino-1-isobutyl-3-methyl-5-nitroso-2,4-pyrimidinedione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CN1C(=C(C(=O)N(C1=O)C)N=O)N
• Uses: 6-AMino-1-isobutyl-3-Methyl-5-nitroso-2,4-pyriMidinedione can be a useful synthetic intermediate.

Technology Process of 6-Amino-1-isobutyl-3-methyl-5-nitrosouracil

There total 3 articles about 6-Amino-1-isobutyl-3-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:

6-amino-1-isobutyl-3-methyl-1H-pyrimidine-2,4-dione (58481-39-3) → 1-isobutyl-3-methyl-5-nitroso-6-amino uracil (54052-67-4)

Guidance literature:

With acetic acid; sodium nitrite; In water; for 2h; Ambient temperature;

DOI:10.1016/0223-5234(90)90130-U

Reference yield:

1-isobutyl-3-methyl-urea (38014-54-9) → 1-isobutyl-3-methyl-5-nitroso-6-amino uracil (54052-67-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) acetic anhydride, 2.) 10percent aq. NaOH / 1.) 70 deg C, 2 h, 2.) from 20 to 70 deg C, 1 h

2: NaNO₂, AcOH / H₂O / 2 h / Ambient temperature

With sodium hydroxide; acetic anhydride; acetic acid; sodium nitrite; In water;

DOI:10.1016/0223-5234(90)90130-U

Reference yield:

→ 1-isobutyl-3-methyl-5-nitroso-6-amino uracil (54052-67-4)

Guidance literature:

entspr. 6-Aminouracil, HNO2;

upstream raw materials:

6-amino-1-isobutyl-3-methyl-1H-pyrimidine-2,4-dione

1-isobutyl-3-methyl-urea

Downstream raw materials:

3-isobutyl-8-methoxymethyl-1-methylxanthine

1-isobutyl-3-methyl-5-(3-methoxypropionamido)-6-amino uracil

N-(6-Amino-1-isobutyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-4-methoxy-butyramide

1-methyl-3-isobutyl-8-[(4-diphenylmethylpiperazinyl)-methyl]xanthine