6-methyl-N1-(4-phenylpyrimidin-2-yl)benzene-1,3-diamine

Base Information

• Chemical Name: 6-methyl-N1-(4-phenylpyrimidin-2-yl)benzene-1,3-diamine
• CAS No.: 782450-12-8
• Molecular Formula: C17H16 N4
• Molecular Weight: 276.34
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID10703792
• Wikidata: Q82636045
• Mol file: 782450-12-8.mol

Synonyms:782450-12-8;6-methyl-N1-(4-phenylpyrimidin-2-yl)benzene-1,3-diamine;4-Methyl-N3-(4-phenylpyrimidine-2-yl)benzene-1,3-diamine;SCHEMBL7601457;DTXSID10703792;4-Methyl-N~3~-(4-phenylpyrimidin-2-yl)benzene-1,3-diamine

Chemical Property of 6-methyl-N1-(4-phenylpyrimidin-2-yl)benzene-1,3-diamine

Chemical Property:

• PSA: 63.83000
• LogP: 4.43200
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 276.137496527
• Heavy Atom Count: 21
• Complexity: 316

Purity/Quality:

4-METHYL-N3-(4-PHENYLPYRIMIDINE-2-YL)BENZENE-1,3-DIAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)N)NC2=NC=CC(=N2)C3=CC=CC=C3

Technology Process of 6-methyl-N1-(4-phenylpyrimidin-2-yl)benzene-1,3-diamine

There total 7 articles about 6-methyl-N1-(4-phenylpyrimidin-2-yl)benzene-1,3-diamine 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: 93.0%

N-(2-methyl-5-nitrophenyl)-4-phenylpyrimidin-2-amine (1024585-61-2) → 6-methyl-N-(4-phenylpyrimidin-2-yl)benzene-1,3-diamine (782450-12-8)

Guidance literature:

With iron(III) chloride; hydrazine hydrate; In methanol; at 100 ℃; for 4h; Reflux;

DOI:10.1002/cmdc.201100304

Reference yield:

4-phenylpyrimidin-2-amine (2305-87-5) → 6-methyl-N-(4-phenylpyrimidin-2-yl)benzene-1,3-diamine (782450-12-8)

Guidance literature:

Multi-step reaction with 2 steps

1: copper(l) iodide; potassium carbonate; N,N`-dimethylethylenediamine / 1,4-dioxane / 15 h / 120 °C / Inert atmosphere; Reflux

2: iron(III) chloride; hydrazine hydrate / methanol / 4 h / 100 °C / Reflux

With iron(III) chloride; copper(l) iodide; potassium carbonate; hydrazine hydrate; N,N`-dimethylethylenediamine; In 1,4-dioxane; methanol; 1: Ullmann reaction;

DOI:10.1002/cmdc.201100304

Reference yield:

2-bromo-4-nitrotoluene (7745-93-9) → 6-methyl-N-(4-phenylpyrimidin-2-yl)benzene-1,3-diamine (782450-12-8)

Guidance literature:

Multi-step reaction with 2 steps

1: copper(l) iodide; potassium carbonate; N,N`-dimethylethylenediamine / 1,4-dioxane / 15 h / 120 °C / Inert atmosphere; Reflux

2: iron(III) chloride; hydrazine hydrate / methanol / 4 h / 100 °C / Reflux

With iron(III) chloride; copper(l) iodide; potassium carbonate; hydrazine hydrate; N,N`-dimethylethylenediamine; In 1,4-dioxane; methanol; 1: Ullmann reaction;

DOI:10.1002/cmdc.201100304

upstream raw materials:

4-phenylpyrimidin-2-amine

N-(2-methyl-5-nitrophenyl)-4-phenylpyrimidin-2-amine

2-bromo-4-nitrotoluene

(E)-3-(N,N-dimethylamino)-1-phenyl-2-propen-1-one

Downstream raw materials:

N-(5-azido-2-methylphenyl)-4-phenylpyrimidin-2-amine

N-[2-methyl-5-(4-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-1H-1,2,3-triazol-1-yl)phenyl]-4-phenylpyrimidin-2-amine

methyl 1-[4-methyl-3-(4-phenylpyrimidin-2-ylamino)phenyl]-1H-1,2,3-triazole-4-carboxylate

N-[2-methyl-5-{4-[(dimethylamino)methyl]-1H-1,2,3-triazol-1-yl}-phenyl]-4-phenylpyrimidin-2-amine