1,3-Diethyl-5,6-diaminouracil

Base Information

• Chemical Name: 1,3-Diethyl-5,6-diaminouracil
• CAS No.: 52998-22-8
• Molecular Formula: C8H14N4O2
• Molecular Weight: 198.225
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID90404391
• Nikkaji Number: J1.235.145C
• Wikidata: Q82208568
• Mol file: 52998-22-8.mol

Synonyms:52998-22-8;1,3-DIETHYL-5,6-DIAMINOURACIL;5,6-Diamino-1,3-diethylpyrimidine-2,4(1H,3H)-dione;5,6-diamino-1,3-diethylpyrimidine-2,4-dione;5,6-diamino-1,3-diethyluracil;5,6-diamino-1,3-diethyl-2,4(1H,3H)-pyrimidinedione;1,3-Diethyl-5,6-aminouracil;MFCD00091838;2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-1,3-diethyl-;5,6-diamino-1,3diethyluracil;AMY828;SCHEMBL3399025;DTXSID90404391;UYSUETCFMBIADB-UHFFFAOYSA-N;5,6-diamino-1,3 -diethyluracil;5,6-diamino-1,3-diethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione;AKOS005071792;CL-0799;SB55850;FT-0666758;1 pound not3-Diethyl-5 pound not6-diaminouracil;W-203000

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

Chemical Property:

• Vapor Pressure: 0.0043mmHg at 25°C
• Melting Point: 88-98°C
• Refractive Index: 1.548
• Boiling Point: 278.3°Cat760mmHg
• PKA: 4.40±0.70(Predicted)
• Flash Point: 122.1°C
• PSA: 96.04000
• Density: 1.23g/cm³
• LogP: 0.37660
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Hygroscopic
• Solubility.: Chloroform
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 198.11167570
• Heavy Atom Count: 14
• Complexity: 311

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=C(C(=O)N(C1=O)CC)N)N
• Uses: 1,3-Diethyl-5,6-diaminouracil (cas# 52998-22-8) is a compound useful in organic synthesis.

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

There total 7 articles about 1,3-Diethyl-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: 98.0%

6-amino-1,3-diethyl-5-nitroso-1H,3H-pyrimidine-2,4-dione (89073-60-9) → 5,6-diamino-1,3-diethyluracil (52998-22-8)

Guidance literature:

With ammonium hydroxide; sodium dithionite; In water; for 0.5h;

DOI:10.1016/j.bmcl.2013.03.070

Reference yield: 80.0%

6-amino-1,3-diethyluracil (41740-15-2) → 5,6-diamino-1,3-diethyluracil (52998-22-8)

Guidance literature:

6-amino-1,3-diethyluracil; With nitric acid; acetic acid; In water;

With sodium dithionite; ammonia; In water; Further stages.;

DOI:10.1016/j.tetlet.2008.05.071

Reference yield:

N,N'-diethylurea (623-76-7) → 5,6-diamino-1,3-diethyluracil (52998-22-8)

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+

upstream raw materials:

6-amino-1,3-diethyl-5-nitroso-1H,3H-pyrimidine-2,4-dione

N,N'-diethylurea

6-amino-1,3-diethyluracil

N,N-diethylurea

Downstream raw materials:

1,3-diethyl-8-(3,4,5-trimethoxy-styryl)-3,7-dihydro-purine-2,6-dione

(E)-8-[2-(4-methoxyphenyl)vinyl]-1,3-diethyl-3,7-dihydropurine-2,6-dione

1,3-diethyl-8-(4-fluorophenyl)-1H-purine-2,6(3H,7H)-dione

1,3-diethyl-8-(4-nitrophenyl)-1H-purine-2,6(3H,7H)-dione

Refernces

• 1、 Meng, Zihui,Wang, Hongyi,Wang, Yiyun,Xu, Haojie,Xu, Zhibin,Xue, Min,Zheng, Zhonghui. "Separation and identification of an impurity from the istradefylline intermediate". . p. 14493 - 14499. Retrieved 2020/04/27.
• 2、 Sultani, Haider N.,Ghazal, Rasha A.,Hayallah, Alaa M.,Abdulrahman, Loay K.,Abu-Hammour, Khaled,AbuHammad, Shatha,Taha, Mutasem O.,Zihlif, Malek A.. "Inhibitory Effects of New Mercapto Xanthine Derivatives in Human mcf7 and k562 Cancer Cell Lines". supporting information. p. 450 - 456. Retrieved 2017/02/03.