6-Amino-1,3-dibenzylpyrimidine-2,4(1h,3h)-dione

Base Information

• Chemical Name: 6-Amino-1,3-dibenzylpyrimidine-2,4(1h,3h)-dione
• CAS No.: 41862-17-3
• Molecular Formula: C18H17N3O2
• Molecular Weight: 307.352
• NSC Number: 101686
• DSSTox Substance ID: DTXSID40295397
• Nikkaji Number: J1.932.067G
• Wikidata: Q82035313
• ChEMBL ID: CHEMBL3183490
• Mol file: 41862-17-3.mol

Synonyms:41862-17-3;MLS002703665;6-amino-1,3-dibenzylpyrimidine-2,4(1h,3h)-dione;NSC101686;6-Amino-1,3-dibenzyl-1H-pyrimidine-2,4-dione;SCHEMBL1031237;CHEMBL3183490;DTXSID40295397;GHONXNXMSKFJHS-UHFFFAOYSA-N;NSC-101686;SMR001570382

Chemical Property of 6-Amino-1,3-dibenzylpyrimidine-2,4(1h,3h)-dione

Chemical Property:

• Vapor Pressure: 1.67E-09mmHg at 25°C
• Boiling Point: 483.5°C at 760 mmHg
• Flash Point: 246.2°C
• Density: 1.296g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 307.132076794
• Heavy Atom Count: 23
• Complexity: 477

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C(=CC(=O)N(C2=O)CC3=CC=CC=C3)N

Technology Process of 6-Amino-1,3-dibenzylpyrimidine-2,4(1h,3h)-dione

There total 9 articles about 6-Amino-1,3-dibenzylpyrimidine-2,4(1h,3h)-dione 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: 78.0%

1,3-dibenzylurea (1466-67-7) + cyanoacetic acid (372-09-8) → 6-amino-1,3-dibenzylpyrimidine-2,4(1H,3H)-dione (41862-17-3)

Guidance literature:

With acetic anhydride; at 10 - 70 ℃; for 16h;

Reference yield: 72.0%

N′-(1,3-dibenzyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N,N-dimethylformimidamide → 6-amino-1,3-dibenzylpyrimidine-2,4(1H,3H)-dione (41862-17-3)

Guidance literature:

With sodium hydroxide; In methanol; water; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.joc.0c00657

Reference yield:

1,3-dibenzylurea (1466-67-7) + ethyl 2-cyanoacetate (105-56-6) → 6-amino-1,3-dibenzylpyrimidine-2,4(1H,3H)-dione (41862-17-3)

Guidance literature:

With sodium ethanolate; In ethanol; Reflux;

DOI:10.1016/j.bmcl.2009.01.031

upstream raw materials:

1,3-dibenzylurea

ethyl 2-cyanoacetate

benzyl isothiocyanate

benzylamine

Downstream raw materials:

C₂₁H₁₉N₅O₂S

C₂₆H₂₇N₃O₆

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