1,3-Dibutyl-5,6-diaminouracil

Base Information

• Chemical Name: 1,3-Dibutyl-5,6-diaminouracil
• CAS No.: 52998-23-9
• Molecular Formula: C12H22N4O2
• Molecular Weight: 254
• DSSTox Substance ID: DTXSID20440060
• Nikkaji Number: J1.235.149F
• Wikidata: Q82256236
• Mol file: 52998-23-9.mol

Synonyms:1,3-Dibutyl-5,6-diaminouracil;52998-23-9;5,6-diamino-1,3-dibutylpyrimidine-2,4-dione;5,6-Diamino-1,3-dibutyl-2,4(1H,3H)-pyrimidinedione;SCHEMBL4251917;DTXSID20440060;FT-0666527;1,3-Dibutyl-5,6-diaminopyrimidine-2,4(1H,3H)-dione

Chemical Property of 1,3-Dibutyl-5,6-diaminouracil

Chemical Property:

• Melting Point: 93 °C
• Boiling Point: 342.7±52.0 °C(Predicted)
• PKA: 4.41±0.70(Predicted)
• PSA: 96.04000
• Density: 1.119±0.06 g/cm3(Predicted)
• LogP: 1.93700
• Solubility.: Chloroform, Dichloromethane, DMSO, Methanol
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 254.17427596
• Heavy Atom Count: 18
• Complexity: 365

Purity/Quality:

97% ^*data from raw suppliers

1,3-Dibutyl-5,6-diaminouracil ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCN1C(=C(C(=O)N(C1=O)CCCC)N)N

Technology Process of 1,3-Dibutyl-5,6-diaminouracil

There total 4 articles about 1,3-Dibutyl-5,6-diaminouracil 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-1,3-di-n-butyl-5-nitroso-uracil (132716-86-0) → 1,3-di-n-butyl-5,6-diamino-uracil (52998-23-9)

Guidance literature:

With diammonium sulfide; water;

DOI:10.1021/ja01097a032

Reference yield:

N,N'-di-n-butylurea (1792-17-2) → 1,3-di-n-butyl-5,6-diamino-uracil (52998-23-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: Ac₂O / 70 °C

2.1: aq. AcOH / 0.5 h / 75 °C

2.2: NaNO₂ / 1 h / 20 °C

3.1: aq. NH₃ / 0.5 h / 70 °C

3.2: Na₂S₂O₄ / 0.5 h / 20 °C

With ammonium hydroxide; acetic anhydride; acetic acid;

DOI:10.1021/jm051268+

Reference yield:

6-Amino-1,3-dibutylpyrimidine-2,4(1H,3H)-dione (41862-16-2) → 1,3-di-n-butyl-5,6-diamino-uracil (52998-23-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: aq. AcOH / 0.5 h / 75 °C

1.2: NaNO₂ / 1 h / 20 °C

2.1: aq. NH₃ / 0.5 h / 70 °C

2.2: Na₂S₂O₄ / 0.5 h / 20 °C

With ammonium hydroxide; acetic acid;

DOI:10.1021/jm051268+

upstream raw materials:

6-amino-1,3-di-n-butyl-5-nitroso-uracil

N,N'-di-n-butylurea

6-Amino-1,3-dibutylpyrimidine-2,4(1H,3H)-dione

N,N-di-n-butylurea

Downstream raw materials:

1,3-dibutylxanthine

4,6-dibutyl-2-phenyl-1,2,3,4-tetrahydro-[1,3,2]diazaborolo[4,5-d]pyrimidine-5,7-dione

(E)-1,3-Dibutyl-8-(3,4,5-trimethoxystyryl)xanthine