N-(7-butyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)benzamide

Base Information

• Chemical Name: N-(7-butyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)benzamide
• CAS No.: 524944-74-9
• Molecular Formula: C18H22N4O3
• Molecular Weight: 342.39
• DSSTox Substance ID: DTXSID50467427
• Nikkaji Number: J1.864.750H
• Wikidata: Q82294372
• Mol file: 524944-74-9.mol

Synonyms:524944-74-9;N-(7-Butyl-6,8-dioxo-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,6-a]pyrimidin-9-yl)benzamide;DTXSID50467427

Chemical Property of N-(7-butyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)benzamide

Chemical Property:

• PSA: 88.62000
• LogP: 2.40000
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 342.16919058
• Heavy Atom Count: 25
• Complexity: 581

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C(=O)C(=C2NCCCN2C1=O)NC(=O)C3=CC=CC=C3

Technology Process of N-(7-butyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)benzamide

There total 3 articles about N-(7-butyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)benzamide 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: 57.0%

1,3-dibromo-propane (109-64-8) + 6-amino-5-benzamido-3-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine (524944-60-3) → 9-benzamido-7-butyl-6,8-dioxo-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,6-a]pyrimidine (524944-74-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 2h;

DOI:10.1016/S0040-4020(02)01485-0

Reference yield:

3-butyl-5,6-diaminouracil (81250-31-9) → 9-benzamido-7-butyl-6,8-dioxo-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,6-a]pyrimidine (524944-74-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 71 percent / N'-(3-dimethylaminopropyl)-N-ethylcarbodiimide hydrochloride / methanol / 3 h / 20 °C

2: 57 percent / K₂CO₃ / dimethylformamide / 2 h / 60 °C

With potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In methanol; N,N-dimethyl-formamide;

DOI:10.1016/S0040-4020(02)01485-0

Reference yield:

benzoic acid (65-85-0,8013-63-6) → 9-benzamido-7-butyl-6,8-dioxo-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,6-a]pyrimidine (524944-74-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 71 percent / N'-(3-dimethylaminopropyl)-N-ethylcarbodiimide hydrochloride / methanol / 3 h / 20 °C

2: 57 percent / K₂CO₃ / dimethylformamide / 2 h / 60 °C

With potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In methanol; N,N-dimethyl-formamide;

DOI:10.1016/S0040-4020(02)01485-0

upstream raw materials:

1,3-dibromo-propane

6-amino-5-benzamido-3-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine

3-butyl-5,6-diaminouracil

benzoic acid

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