5-Nitro-6-styryl-pyrimidine-2,4-diol

Base Information

• Chemical Name: 5-Nitro-6-styryl-pyrimidine-2,4-diol
• CAS No.: 16290-66-7
• Molecular Formula: C12H9 N3 O4
• Molecular Weight: 259.2176
• NSC Number: 211242
• DSSTox Substance ID: DTXSID20416886
• Nikkaji Number: J2.748.363A
• ChEMBL ID: CHEMBL1491390
• Mol file: 16290-66-7.mol

Synonyms:5-Nitro-6-styryl-pyrimidine-2,4-diol;16290-66-7;HMS2846P10;NSC211242;MLS001203819;SCHEMBL4239880;CHEMBL1491390;DTXSID20416886;SMSF0005964;AKOS000573411;CB07196;NSC-211242;SMR000504849;BIM-0005133.P001;AB00087419-01;AB00684114-01;SR-01000401246;SR-01000401246-1;5-Nitro-6-[(E)-styryl]pyrimidine-2,4(1H,3H)-dione

Chemical Property of 5-Nitro-6-styryl-pyrimidine-2,4-diol

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.45g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 259.05930578
• Heavy Atom Count: 19
• Complexity: 470

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-]
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-]

Technology Process of 5-Nitro-6-styryl-pyrimidine-2,4-diol

There total 3 articles about 5-Nitro-6-styryl-pyrimidine-2,4-diol 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: 84.0%

5-nitro-6-methyluracil (16632-21-6) + benzaldehyde (100-52-7) → 5-nitro-6-styryluracil (16290-66-7)

Guidance literature:

5-nitro-6-methyluracil; benzaldehyde; With piperidine; Reflux;

In water;

DOI:10.1021/jo900238q

Reference yield:

5-nitro-6-methyluracil (16632-21-6) + benzaldehyde (100-52-7) → 5-nitro-6-styryl-1H-pyrimidine-2,4-dione (16290-66-7)

Guidance literature:

DOI:10.1039/jr9480001128

Reference yield:

6-Methyluracil (626-48-2) → 5-nitro-6-styryl-1H-pyrimidine-2,4-dione (16290-66-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; nitric acid

2: piperidine / butan-1-ol / Reflux

With piperidine; sulfuric acid; nitric acid; In butan-1-ol;

DOI:10.1111/cbdd.12386

upstream raw materials:

5-nitro-6-methyluracil

benzaldehyde

6-Methyluracil

Downstream raw materials:

6-trans-styryl-pyrimidine-2,4,5-triyltriamine