5H-Pyrrolo(3,2-d)pyrimidin-4-amine, N-(2-cyclohexylethyl)-2-methyl-6-phenyl-

Base Information

• Chemical Name: 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, N-(2-cyclohexylethyl)-2-methyl-6-phenyl-
• CAS No.: 114685-11-9
• Molecular Formula: C₂₁H₂₆N₄
• Molecular Weight: 334.464
• DSSTox Substance ID: DTXSID90150826
• Wikidata: Q83017029

Synonyms:BRN 5623620;5H-Pyrrolo(3,2-d)pyrimidin-4-amine, N-(2-cyclohexylethyl)-2-methyl-6-phenyl-;N-(2-Cyclohexylethyl)-2-methyl-6-phenyl-5H-pyrrolo(3,2-d)pyrimidin-4-amine;114685-11-9;DTXSID90150826;LS-139517

Chemical Property of 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, N-(2-cyclohexylethyl)-2-methyl-6-phenyl-

Chemical Property:

• Vapor Pressure: 2.39E-10mmHg at 25°C
• Boiling Point: 505.6°C at 760 mmHg
• Flash Point: 259.6°C
• Density: 1.16g/cm³
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 334.21574685
• Heavy Atom Count: 25
• Complexity: 403

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(C(=N1)NCCC3CCCCC3)NC(=C2)C4=CC=CC=C4

Technology Process of 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, N-(2-cyclohexylethyl)-2-methyl-6-phenyl-

There total 2 articles about 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, N-(2-cyclohexylethyl)-2-methyl-6-phenyl- 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: 86.2%

2-cyclohexylethylamine (4442-85-7) + 2-Methyl-4-chloro-6-phenylpyrrolo<3,2-d>pyrimidine hydrochloride → (2-Cyclohexyl-ethyl)-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-amine (114685-11-9)

Guidance literature:

In ethanol; for 4h; Heating;

DOI:10.1007/BF00758443

Reference yield:

2-Methyl-4-hydroxy-6-phenylpyrrolo<3,2-d>pyrimidine hydrochloride → (2-Cyclohexyl-ethyl)-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-amine (114685-11-9)

Guidance literature:

Multi-step reaction with 2 steps

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

2: 86.2 percent / ethanol / 4 h / Heating

With N,N-diethylaniline; trichlorophosphate; In ethanol; 1,2-dichloro-ethane;

DOI:10.1007/BF00758443

upstream raw materials:

2-cyclohexylethylamine

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