Butanoic acid, 4-((2-methyl-6-phenyl-5H-pyrrolo(3,2-d)pyrimidin-4-yl)amino)-

Base Information

• Chemical Name: Butanoic acid, 4-((2-methyl-6-phenyl-5H-pyrrolo(3,2-d)pyrimidin-4-yl)amino)-
• CAS No.: 114685-06-2
• Molecular Formula: C17H18 N4 O2
• Molecular Weight: 310.3504
• DSSTox Substance ID: DTXSID50150822
• Wikidata: Q83017025

Synonyms:BRN 5767620;Butanoic acid, 4-((2-methyl-6-phenyl-5H-pyrrolo(3,2-d)pyrimidin-4-yl)amino)-;4-((2-Methyl-6-phenyl-5H-pyrrolo(3,2-d)pyrimidin-4-yl)amino)butanoic acid;114685-06-2;DTXSID50150822;LS-46367

Chemical Property of Butanoic acid, 4-((2-methyl-6-phenyl-5H-pyrrolo(3,2-d)pyrimidin-4-yl)amino)-

Chemical Property:

• Vapor Pressure: 2.03E-13mmHg at 25°C
• Boiling Point: 560.9°Cat760mmHg
• Flash Point: 293°C
• Density: 1.329g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 310.14297583
• Heavy Atom Count: 23
• Complexity: 400

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(C(=N1)NCCCC(=O)O)NC(=C2)C3=CC=CC=C3

Technology Process of Butanoic acid, 4-((2-methyl-6-phenyl-5H-pyrrolo(3,2-d)pyrimidin-4-yl)amino)-

There total 2 articles about Butanoic acid, 4-((2-methyl-6-phenyl-5H-pyrrolo(3,2-d)pyrimidin-4-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: 80.0%

2-Methyl-4-chloro-6-phenylpyrrolo<3,2-d>pyrimidine hydrochloride + 4-amino-n-butyric acid (56-12-2) → 4-(2-Methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-ylamino)-butyric acid (114685-06-2)

Guidance literature:

With potassium carbonate; In water; at 150 - 160 ℃; for 5h; Heating;

DOI:10.1007/BF00758443

Reference yield:

2-Methyl-4-hydroxy-6-phenylpyrrolo<3,2-d>pyrimidine hydrochloride → 4-(2-Methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-ylamino)-butyric acid (114685-06-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 92.26 percent / POCl₃, diethylaniline / 1,2-dichloro-ethane / 3 h / Heating

2: 80 percent / potassium carbonate / H₂O / 5 h / 150 - 160 °C / Heating

With potassium carbonate; N,N-diethylaniline; trichlorophosphate; In water; 1,2-dichloro-ethane;

DOI:10.1007/BF00758443

upstream raw materials:

4-amino-n-butyric acid

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