3-(4-Chlorophenyl)-6,8-dimethyl-4-oxo-4lambda~5~-pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-6,8-dimethyl-4-oxo-4lambda~5~-pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione
• CAS No.: 59776-20-4
• Molecular Formula: C13H10 Cl N5 O3
• Molecular Weight: 320.7106
• NSC Number: 280170
• DSSTox Substance ID: DTXSID00423432
• Wikidata: Q82235647

Synonyms:59776-20-4;DTXSID00423432;NSC280170;NSC-280170;3-(4-Chlorophenyl)-6,8-dimethyl-4-oxo-4lambda~5~-pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione

Chemical Property of 3-(4-Chlorophenyl)-6,8-dimethyl-4-oxo-4lambda~5~-pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 319.0472169
• Heavy Atom Count: 22
• Complexity: 471

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N=N2)C3=CC=C(C=C3)Cl)[O-]

Technology Process of 3-(4-Chlorophenyl)-6,8-dimethyl-4-oxo-4lambda~5~-pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione

There total 1 articles about 3-(4-Chlorophenyl)-6,8-dimethyl-4-oxo-4lambda~5~-pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-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:

→ 3-(4-chloro-phenyl)-6,8-dimethyl-4-oxy-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (59776-20-4)

Guidance literature:

Hydrazon IVc, Diethyl-azodiformiat;

Reference yield: 75.0%

acetylenedicarboxylic acid diethyl ester (762-21-0) + 3-(4-chloro-phenyl)-6,8-dimethyl-4-oxy-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (59776-20-4) → 6-(4-Chloro-phenyl)-1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester (96429-62-8)

Guidance literature:

In toluene; at 95 ℃; for 0.5h;

DOI:10.1021/jo00214a002

Reference yield: 13.0%

phenylpropynoic acid ethyl ester (2216-94-6) + 3-(4-chloro-phenyl)-6,8-dimethyl-4-oxy-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (59776-20-4) → 5-Benzoyl-6-(4-chloro-phenyl)-1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester (96429-56-0) + 3-(4-chloro-phenyl)-6,8-dimethyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (30561-26-3)

Guidance literature:

In toluene; at 120 ℃; for 3h;

DOI:10.1021/jo00214a002

Downstream raw materials:

5-Benzoyl-6-(4-chloro-phenyl)-1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester

3-(4-chloro-phenyl)-6,8-dimethyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

6-(4-Chloro-phenyl)-1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 59776-20-4 3-(4-chlorophenyl)-6,8-dimethyl-4,5,7-trioxo-4,4a,5,6,7,8-hexahydropyrimido[5,4-e][1,2,4]triazin-4-ium

Send

Send

Metric Ton KG G Pound L ML

Send

Send