1-Amino-5-chlorouracil

Base Information

• Chemical Name: 1-Amino-5-chlorouracil
• CAS No.: 127984-94-5
• Molecular Formula: C₄H₄ClN₃O₂
• Molecular Weight: 161.548
• DSSTox Substance ID: DTXSID80155764
• Nikkaji Number: J458.800B
• Wikidata: Q83023745
• Mol file: 127984-94-5.mol

Synonyms:1-Amino-5-chlorouracil;127984-94-5;2,4(1H,3H)-Pyrimidinedione, 1-amino-5-chloro-;1-Amino-5-chloro-2,4(1H,3H)-pyrimidinedione;SCHEMBL9192075;DTXSID80155764;LS-135093;EN300-330380;1-amino-5-chloro-1,2,3,4-tetrahydropyrimidine-2,4-dione

Chemical Property of 1-Amino-5-chlorouracil

Chemical Property:

• Density: 1.72g/cm³
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 160.9992041
• Heavy Atom Count: 10
• Complexity: 225

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=O)NC(=O)N1N)Cl

Technology Process of 1-Amino-5-chlorouracil

There total 3 articles about 1-Amino-5-chlorouracil 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:

5-chloro-2,4-bis-O-trimethylsilyluracil (58990-53-7) → 1-amino-5-chlorouracil (127984-94-5)

Guidance literature:

With mesitylenesulfonylhydroxylamine; In dichloromethane; for 4h; Ambient temperature;

DOI:10.1248/cpb.40.1808

Reference yield:

N-(5-Chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetamide (138481-91-1) → 1-amino-5-chlorouracil (127984-94-5)

Guidance literature:

With sulfuric acid; at 85 ℃; for 5h;

DOI:10.1248/cpb.40.1808

Reference yield:

→ 1-amino-5-chlorouracil (127984-94-5)

Guidance literature:

upstream raw materials:

5-chloro-2,4-bis-O-trimethylsilyluracil

N-(5-Chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetamide

Downstream raw materials:

5-Chloro-1-{[1-phenyl-meth-(E)-ylidene]-amino}-1H-pyrimidine-2,4-dione