Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-

Base Information

• Chemical Name: Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-
• CAS No.: 141985-40-2
• Molecular Formula: C₁₃H₁₅N₅O₇
• Molecular Weight: 353.291
• DSSTox Substance ID: DTXSID80161906
• Nikkaji Number: J469.201B
• Wikidata: Q83030369
• Mol file: 141985-40-2.mol

Synonyms:141985-40-2;Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-;DTXSID80161906;LS-46309;4-[[[1,2,3,4,5,8-Hexahydro-1,3-dimethyl-2,4,5-trioxo-6-nitropyrido[2,3-d]pyrimidin]-7-yl]amino]butanoic acid

Chemical Property of Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-

Chemical Property:

• Vapor Pressure: 4.06E-13mmHg at 25°C
• Boiling Point: 540.5°C at 760 mmHg
• Flash Point: 280.7°C
• Density: 1.62g/cm³
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 353.09714783
• Heavy Atom Count: 25
• Complexity: 748

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)-

There total 1 articles about Butanoic acid, 4-((1,2,3,4,5,8-hexahydro-1,3-dimethyl-6-nitro-2,4,5-trioxopyrido(2,3-d)pyrimidin-7-yl)amino)- 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: 95.2%

1,3-dimethyl-2,4,5-trioxo-6-nitro-7-chloro-1,2,3,4,5,8-hexahydropyrido<2,3-d>pyrimidine (136744-36-0) + 4-amino-n-butyric acid (56-12-2) → N-(1,3-dimethyl-2,4,5-trioxo-6-nitro-1,2,3,4,5,8-hexahydropyrido<2,3-d>pyrimidinyl-7)-γ-aminobutyric acid (141985-40-2,339059-65-3)

Guidance literature:

In dimethyl sulfoxide; at 110 - 120 ℃; for 1.5h;

DOI:10.1007/BF00773199

upstream raw materials:

1,3-dimethyl-2,4,5-trioxo-6-nitro-7-chloro-1,2,3,4,5,8-hexahydropyrido<2,3-d>pyrimidine

4-amino-n-butyric acid