5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione

Base Information

• Chemical Name: 5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione
• CAS No.: 42485-29-0
• Molecular Formula: C11H8ClN3O2
• Molecular Weight: 249.6531
• NSC Number: 170388
• DSSTox Substance ID: DTXSID50305350

Synonyms:42485-29-0;5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione;NSC170388;CBMicro_017392;DivK1c_004928;DTXSID50305350;CCG-6172;STK988780;STL048825;AKOS005702425;AKOS032383966;NSC-170388;CDS1_003888;BIM-0017543.P001;SR-01000204605;SR-01000204605-1;5-(4-chlorobenzylideneamino)pyrimidine-2,4(1h,3h)-dione;5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4-diol;(E)-5-((4-chlorobenzylidene)amino)pyrimidine-2,4(1H,3H)-dione

Chemical Property of 5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.46g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 249.0305042
• Heavy Atom Count: 17
• Complexity: 384

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=NC2=CNC(=O)NC2=O)Cl

Technology Process of 5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione

There total 2 articles about 5-{[(E)-(4-chlorophenyl)methylidene]amino}pyrimidine-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: 93.0%

5-Aminouracil (932-52-5) + 4-chlorobenzaldehyde (104-88-1) → 5-(4-chlorobenzylideneamino)pyrimidine-2,4(1H,3H)-dione (42485-29-0)

Guidance literature:

With toluene-4-sulfonic acid; In dimethyl sulfoxide; at 20 ℃; for 24h;

DOI:10.1007/s00706-011-0616-1

Reference yield:

→ 5-(4'-Chlorbenzylidinamino)-uracil (42485-29-0)

Guidance literature:

5-Amino-uracil;

Reference yield: 92.0%

4,6-dihydroxy-2-mercaptopyrimidine (504-17-6,157796-99-1,924832-30-4) + 5-(4-chlorobenzylideneamino)pyrimidine-2,4(1H,3H)-dione (42485-29-0) → 10-(4-chlorophenyl)-1,3,6,8-tetrahydro-7-thioxo-pyrido[3,2-d:6,5-d']dipyrimidine-2,4,9-trione (1210058-12-0)

Guidance literature:

In N,N-dimethyl-formamide; Microwave irradiation;

DOI:10.1515/znb-2009-1013

upstream raw materials:

5-Aminouracil

4-chlorobenzaldehyde

Downstream raw materials:

10-(4-chlorophenyl)-1,3,6,8-tetrahydropyrido[3,2-d:6,5-d']dipyrimidine-2,4,7,9-tetrone

10-(4-chlorophenyl)-1,3,6,8-tetrahydro-7-thioxo-pyrido[3,2-d:6,5-d']dipyrimidine-2,4,9-trione

C₁₉H₂₇ClN₃O₅P

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