6-amino-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione

Base Information

• Chemical Name: 6-amino-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione
• CAS No.: 58481-39-3
• Molecular Formula: C9H15N3O2
• Molecular Weight: 197.237
• Hs Code.: 2933599090
• NSC Number: 70483
• DSSTox Substance ID: DTXSID70290714
• Nikkaji Number: J3.434.329B
• Wikidata: Q82028490
• ChEMBL ID: CHEMBL581939
• Mol file: 58481-39-3.mol

Synonyms:58481-39-3;6-amino-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione;TCMDC-123470;6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione;1-METHYL-3-ISOBUTYL-4-AMINOURACIL;1-Isobutyl-3-methyl-6-aminouracil;4-AMINO-3-ISOBUTYL-1-METHYLPYRIMIDINE-2,6-DIONE;4-Amino-3-isobutyl-1-methyl pyrimidine-2,6-dione;NSC70483;MLS001033527;CHEMBL581939;SCHEMBL10957985;DTXSID70290714;HMS1783G09;HMS2668O23;MFCD02091061;NSC-70483;AKOS001057867;SB55639;SMR000363939;FT-0661866;AB-323/25048013;Z56914819;6-amino-1-isobutyl-3-methyl-2,4(1H,3H)-pyrimidinedione

Chemical Property of 6-amino-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione

Chemical Property:

• Vapor Pressure: 0.0028mmHg at 25°C
• Melting Point: 146-148°C
• Refractive Index: 1.521
• Boiling Point: 285.5 °C at 760 mmHg
• Flash Point: 126.4 °C
• PSA: 70.02000
• Density: 1.15 g/cm³
• LogP: 0.36640
• Storage Temp.: -20?C Freezer
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 197.116426730
• Heavy Atom Count: 14
• Complexity: 296

Purity/Quality:

99%, ^*data from raw suppliers

4-Amino-3-isobutyl-1-methylpyrimidine-2,6-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CN1C(=CC(=O)N(C1=O)C)N

Technology Process of 6-amino-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione

There total 2 articles about 6-amino-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione 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-1,3-dihydropyrimidine-2,4-dione (56075-75-3) + dimethyl sulfate (77-78-1) → 6-amino-1-isobutyl-3-methyl-1H-pyrimidine-2,4-dione (58481-39-3)

Guidance literature:

With sodium hydroxide; ethanol;

DOI:10.1021/jo50006a010

Reference yield:

1-isobutyl-3-methyl-urea (38014-54-9) + cyanoacetic acid (372-09-8) → 6-amino-1-isobutyl-3-methyl-1H-pyrimidine-2,4-dione (58481-39-3)

Guidance literature:

With sodium hydroxide; acetic anhydride; Multistep reaction; 1.) 70 deg C, 2 h, 2.) from 20 to 70 deg C, 1 h;

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

Reference yield: 35.0%

2,3,4,5-tetrahydro-6-methoxypyridine (5693-62-9) + 6-amino-1-isobutyl-3-methyl-1H-pyrimidine-2,4-dione (58481-39-3) → 1-isobutyl-3-methyl-6-[piperidin-3-ylideneamino]pyrimidine-2,4(1H,3H)-dione

Guidance literature:

In N,N-dimethyl-formamide; at 150 ℃; regioselective reaction;

DOI:10.1016/j.tet.2012.08.014

upstream raw materials:

6-amino-1-isobutyl-1,3-dihydropyrimidine-2,4-dione

dimethyl sulfate

1-isobutyl-3-methyl-urea

cyanoacetic acid

Downstream raw materials:

1-isobutyl-3-methyl-5-nitroso-6-amino uracil

5,6-diamino-1-isobutyl-3-methyl-1H-pyrimidine-2,4-dione

1-Methyl-3-isobutyl8-methylxanthin

7-(4-chloro-benzyl)-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione