(1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1-ethyl-1,6,8,9-tetrahydro-9-methyl-6,8-dioxo-3-phenyl-, ethyl ester

Base Information

• Chemical Name: (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1-ethyl-1,6,8,9-tetrahydro-9-methyl-6,8-dioxo-3-phenyl-, ethyl ester
• CAS No.: 105774-55-8
• Molecular Formula: C20H22 N6 O4
• Molecular Weight: 410.4265
• DSSTox Substance ID: DTXSID30147331
• Wikidata: Q83012607

Synonyms:BRN 5672094;(1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1-ethyl-1,6,8,9-tetrahydro-9-methyl-6,8-dioxo-3-phenyl-, ethyl ester;105774-55-8;DTXSID30147331;LS-155708

Chemical Property of (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1-ethyl-1,6,8,9-tetrahydro-9-methyl-6,8-dioxo-3-phenyl-, ethyl ester

Chemical Property:

• Vapor Pressure: 1.94E-14mmHg at 25°C
• Boiling Point: 601.8°Cat760mmHg
• Flash Point: 317.8°C
• Density: 1.42g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 410.17025320
• Heavy Atom Count: 30
• Complexity: 737

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=NC3=C(N2CC(=N1)C4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(=O)OCC

Technology Process of (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1-ethyl-1,6,8,9-tetrahydro-9-methyl-6,8-dioxo-3-phenyl-, ethyl ester

There total 1 articles about (1,2,4)Triazino(3,4-f)purine-7(4H)-acetic acid, 1-ethyl-1,6,8,9-tetrahydro-9-methyl-6,8-dioxo-3-phenyl-, ethyl ester 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: 70.0%

1-Ethyl-8-methyl-3-phenyl-1,4-dihydro-8H-1,2,4a,6,8,9-hexaaza-fluorene-5,7-dione (81147-04-8) + ethyl iodoacetae (623-48-3) → (1-Ethyl-8-methyl-5,7-dioxo-3-phenyl-1,5,7,8-tetrahydro-4H-1,2,4a,6,8,9-hexaaza-fluoren-6-yl)-acetic acid ethyl ester (105774-55-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 2h; Heating;

DOI:10.1007/BF00758812

Reference yield: 77.0%

(1-Ethyl-8-methyl-5,7-dioxo-3-phenyl-1,5,7,8-tetrahydro-4H-1,2,4a,6,8,9-hexaaza-fluoren-6-yl)-acetic acid ethyl ester (105774-55-8) → (1-Ethyl-8-methyl-5,7-dioxo-3-phenyl-1,5,7,8-tetrahydro-4H-1,2,4a,6,8,9-hexaaza-fluoren-6-yl)-acetic acid hydrazide (105774-59-2)

Guidance literature:

With hydrazine hydrate; In ethanol; for 0.5h; Heating;

DOI:10.1007/BF00758812

upstream raw materials:

1-Ethyl-8-methyl-3-phenyl-1,4-dihydro-8H-1,2,4a,6,8,9-hexaaza-fluorene-5,7-dione

ethyl iodoacetae

Downstream raw materials:

(1-Ethyl-8-methyl-5,7-dioxo-3-phenyl-1,5,7,8-tetrahydro-4H-1,2,4a,6,8,9-hexaaza-fluoren-6-yl)-acetic acid hydrazide

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