1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime

Base Information

• Chemical Name: 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime
• CAS No.: 82628-28-2
• Molecular Formula: C₁₀H₇N₃O₄
• Molecular Weight: 233.183
• NSC Number: 304078
• DSSTox Substance ID: DTXSID70989434
• Wikidata: Q82978534
• Mol file: 82628-28-2.mol

Synonyms:82628-28-2;69486-93-7;1-Phenylvioluric acid;NSC304078;1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime;2,4,5,6(1H,3H)-Pyrimidinetetrone, 1-phenyl-, 5-oxime;DTXSID70989434;NSC-304078;4,6-Dihydroxy-5-nitroso-1-phenylpyrimidin-2(1H)-one

Chemical Property of 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime

Chemical Property:

• Density: 1.59g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 233.04365571
• Heavy Atom Count: 17
• Complexity: 398

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=C(C(=O)NC2=O)N=O)O

Technology Process of 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime

There total 3 articles about 1-Phenyl-2,4,5,6(1H,3H)-pyrimidinetetrone 5-oxime 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:

phenyl carbamate (64-10-8) → 1-phenylvioluric acid (82628-28-2)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium ethylate; ethanol

2: aqueous HCl

3: HNO₂

With hydrogenchloride; ethanol; sodium ethanolate; cis-nitrous acid;

Reference yield:

1-phenyl-pyrimidine-2,4,6-trione (15018-50-5) → 1-phenylvioluric acid (82628-28-2)

Guidance literature:

With cis-nitrous acid;

DOI:10.1021/ja01877a035

Reference yield:

6-amino-1-phenyluracil (15837-45-3) → 1-phenylvioluric acid (82628-28-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous HCl

2: HNO₂

With hydrogenchloride; cis-nitrous acid;

upstream raw materials:

1-phenyl-pyrimidine-2,4,6-trione

6-amino-1-phenyluracil

phenyl carbamate

Downstream raw materials:

5-amino-1-phenyl-barbituric acid