4-Phenyl-6-(1H-pyrrol-2-yl)-2-pyrimidinamine

Base Information

• Chemical Name: 4-Phenyl-6-(1H-pyrrol-2-yl)-2-pyrimidinamine
• CAS No.: 82619-72-5
• Molecular Formula: C₁₄H₁₂N₄
• Molecular Weight: 236.276
• ChEMBL ID: CHEMBL4858660
• DSSTox Substance ID: DTXSID501259502
• Mol file: 82619-72-5.mol

Synonyms:4-Phenyl-6-(1H-pyrrol-2-yl)-2-pyrimidinamine;CHEMBL4858660;DTXSID501259502;82619-72-5

Chemical Property of 4-Phenyl-6-(1H-pyrrol-2-yl)-2-pyrimidinamine

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 236.106196400
• Heavy Atom Count: 18
• Complexity: 265

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=NC(=N2)N)C3=CC=CN3

Technology Process of 4-Phenyl-6-(1H-pyrrol-2-yl)-2-pyrimidinamine

There total 5 articles about 4-Phenyl-6-(1H-pyrrol-2-yl)-2-pyrimidinamine 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: 71.0%

diguanidine carbonate (593-85-1,90332-86-8,3425-08-9) + (2E)-1-phenyl-3-(1H-pyrrol-2-yl)prop-2-en-1-one (4912-12-3,22563-49-1) → 4-phenyl-6-(1H-pyrrol-2-yl)pyrimidin-2-amine (82619-72-5)

Guidance literature:

With sodium hydroxide; In ethanol; for 10h;

DOI:10.1002/jhet.5570190240

Reference yield: 13.0%

guanidine nitrate (506-93-4) + 3-(5-(2-fluorophenyl)-1-vinyl-1H-pyrrol-2-yl)-1-(thiophen-2-yl)prop-2-yn-1-one → 3-[2-(2-amino-6-phenylpyrimidin-4-yl)-1H-pyrrol-1-yl]-1-phenyl-3-(1H-pyrrol-2-yl)prop-2-en-1-one + 3-[2-amino-4-phenyl-6-(1H-pyrrol-2-yl)pyrimidin-5-yl]-1-phenyl-3-(1H-pyrrol-2-yl)prop-2-en-1-one + 4-phenyl-6-(1H-pyrrol-2-yl)pyrimidin-2-amine (82619-72-5)

Guidance literature:

guanidine nitrate; With potassium hydroxide; In water; dimethyl sulfoxide; at 110 - 115 ℃; for 0.5h;

3-(5-(2-fluorophenyl)-1-vinyl-1H-pyrrol-2-yl)-1-(thiophen-2-yl)prop-2-yn-1-one; In water; dimethyl sulfoxide; for 4h;

DOI:10.3390/molecules26061692

Reference yield:

guanidine hydrochloride (50-01-1) + (2E)-1-phenyl-3-(1H-pyrrol-2-yl)prop-2-en-1-one (4912-12-3,22563-49-1) → 4-phenyl-6-(1H-pyrrol-2-yl)pyrimidin-2-amine (82619-72-5)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol; at 90 ℃; for 0.25h; Microwave irradiation; Sealed tube;

DOI:10.1016/j.bmcl.2021.128240

upstream raw materials:

diguanidine carbonate

(2E)-1-phenyl-3-(1H-pyrrol-2-yl)prop-2-en-1-one

guanidine nitrate

1-benzoyl-2-bromoacetylene