1-benzyl-3-phenyldihydro-2,4(1H,3H)-pyrimidinedione

Base Information

• Chemical Name: 1-benzyl-3-phenyldihydro-2,4(1H,3H)-pyrimidinedione
• CAS No.: 21575-64-4
• Molecular Formula: C17H16 N2 O2
• Molecular Weight: 280.3211
• NSC Number: 80551
• DSSTox Substance ID: DTXSID70292152
• Nikkaji Number: J746.777J
• Wikidata: Q82030346
• ChEMBL ID: CHEMBL1706873
• Mol file: 21575-64-4.mol

Synonyms:21575-64-4;1-benzyl-3-phenyl-1,3-diazinane-2,4-dione;1-benzyl-3-phenyldihydro-2,4(1H,3H)-pyrimidinedione;1-Benzyl-3-phenyldihydropyrimidine-2,4(1H,3H)-dione;NSC80551;Maybridge4_001549;Oprea1_439946;MLS000860381;CHEMBL1706873;SCHEMBL14597189;DTXSID70292152;HMS1525G09;HMS2778C05;CCG-42274;NSC-80551;IDI1_032131;SMR000458465;SR-01000632285-1

Chemical Property of 1-benzyl-3-phenyldihydro-2,4(1H,3H)-pyrimidinedione

Chemical Property:

• Vapor Pressure: 1.09E-07mmHg at 25°C
• Boiling Point: 432.6°C at 760 mmHg
• Flash Point: 191.1°C
• Density: 1.251g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 280.121177757
• Heavy Atom Count: 21
• Complexity: 384

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C(=O)N(C1=O)C2=CC=CC=C2)CC3=CC=CC=C3

Technology Process of 1-benzyl-3-phenyldihydro-2,4(1H,3H)-pyrimidinedione

There total 6 articles about 1-benzyl-3-phenyldihydro-2,4(1H,3H)-pyrimidinedione 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: 94.0%

1-benzyl-1-(2-cyano-ethyl)-3-phenyl-urea (309924-69-4) → 1-benzyl-3-phenyl-dihydro-pyrimidine-2,4-dione (21575-64-4)

Guidance literature:

With hydrogenchloride; In ethanol; Heating;

DOI:10.1002/jhet.5570370401

Reference yield:

3-(benzylamino)propionitrile (706-03-6) → 1-benzyl-3-phenyl-dihydro-pyrimidine-2,4-dione (21575-64-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / diethyl ether / 1 h / 20 °C

2: 94 percent / conc. aq. HCl / ethanol / Heating

With hydrogenchloride; In diethyl ether; ethanol; 1: Addition / 2: Hydrolysis;

DOI:10.1002/jhet.5570370401

Reference yield:

phenyl isocyanate (103-71-9) → 1-benzyl-3-phenyl-dihydro-pyrimidine-2,4-dione (21575-64-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / diethyl ether / 1 h / 20 °C

2: 94 percent / conc. aq. HCl / ethanol / Heating

With hydrogenchloride; In diethyl ether; ethanol; 1: Addition / 2: Hydrolysis;

DOI:10.1002/jhet.5570370401

upstream raw materials:

phenyl isocyanate

acryloyl chloride

benzylamine

1-benzyl-1-(2-cyano-ethyl)-3-phenyl-urea

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