Pyrimido(5,4-g)pteridinetetrone 5-oxide, 1,3,7,9-tetrabutyl

Base Information

• Chemical Name: Pyrimido(5,4-g)pteridinetetrone 5-oxide, 1,3,7,9-tetrabutyl
• CAS No.: 33070-58-5
• Molecular Formula: C24H36 N6 O5
• Molecular Weight: 488.587
• DSSTox Substance ID: DTXSID50186722
• Nikkaji Number: J258.742D
• Wikidata: Q83058090
• Mol file: 33070-58-5.mol

Synonyms:PPO-54g5;pyrimido(5,4-g)pteridinetetrone 5-oxide, 1,3,7,9-tetrabutyl

Chemical Property of Pyrimido(5,4-g)pteridinetetrone 5-oxide, 1,3,7,9-tetrabutyl

Chemical Property:

• Vapor Pressure: 5.16E-20mmHg at 25°C
• Boiling Point: 710.1°Cat760mmHg
• Flash Point: 383.3°C
• PSA: 126.35000
• Density: 1.3g/cm³
• LogP: 2.66370
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 488.27471827
• Heavy Atom Count: 35
• Complexity: 732

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C2=C(C(=O)N(C1=O)CCCC)[N+](=C3C(=N2)N(C(=O)N(C3=O)CCCC)CCCC)[O-]

Technology Process of Pyrimido(5,4-g)pteridinetetrone 5-oxide, 1,3,7,9-tetrabutyl

There total 4 articles about Pyrimido(5,4-g)pteridinetetrone 5-oxide, 1,3,7,9-tetrabutyl 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: 74.0%

6-amino-1,3-dibutyl-5-nitrosouracil → 1,3,6,8-tetra-n-butylpyrimido<5,4-g>pteridine-2,4,5,7(1H,3H,6H,8H)-tetrone 10-oxide (33070-58-5)

Guidance literature:

With lead(IV) tetraacetate; In acetic acid; at 20 ℃; for 2h; Reagent/catalyst; Temperature; Inert atmosphere;

DOI:10.1002/chem.201900118

Reference yield:

n-butyl isocyanide (111-36-4) → 1,3,6,8-tetra-n-butylpyrimido<5,4-g>pteridine-2,4,5,7(1H,3H,6H,8H)-tetrone 10-oxide (33070-58-5)

Guidance literature:

Multi-step reaction with 4 steps

1: dichloromethane / 1 h / 0 - 20 °C / Inert atmosphere

2: acetic anhydride / 2 h / 80 °C / Inert atmosphere

3: sodium nitrite / water; acetic acid / 1 h / 20 - 50 °C / Inert atmosphere

4: lead(IV) tetraacetate / acetic acid / 2 h / 20 °C / Inert atmosphere

With lead(IV) tetraacetate; sodium nitrite; In dichloromethane; water; acetic anhydride; acetic acid;

DOI:10.1002/chem.201900118

Reference yield:

N,N'-di-n-butylurea (1792-17-2) → 1,3,6,8-tetra-n-butylpyrimido<5,4-g>pteridine-2,4,5,7(1H,3H,6H,8H)-tetrone 10-oxide (33070-58-5)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic anhydride / 2 h / 80 °C / Inert atmosphere

2: sodium nitrite / water; acetic acid / 1 h / 20 - 50 °C / Inert atmosphere

3: lead(IV) tetraacetate / acetic acid / 2 h / 20 °C / Inert atmosphere

With lead(IV) tetraacetate; sodium nitrite; In water; acetic anhydride; acetic acid;

DOI:10.1002/chem.201900118

upstream raw materials:

n-butyl isocyanide

N,N'-di-n-butylurea

Downstream raw materials:

1,3,6,8-tetra-n-butylpyrimido<5,4-g>pteridine-2,4,5,7(1H,3H,6H,8H)-tetrone 10-oxide

α-naphthol

β-naphthol

4-Methylbenzyl alcohol