2-METHYL-N1-[4-(3-PYRIDINYL)-2-PYRIMIDINYL]-1,4-BENZENEDIAMINE

Base Information

• Chemical Name: 2-METHYL-N1-[4-(3-PYRIDINYL)-2-PYRIMIDINYL]-1,4-BENZENEDIAMINE
• CAS No.: 112696-91-0
• Molecular Formula: C₁₆H₁₅N₅
• Molecular Weight: 277.329
• Hs Code.: 2933990090
• Mol file: 112696-91-0.mol

Synonyms:N-(2-Methyl-4-aminophenyl)-4-(3-pyridyl)-2-pyrimidineamine

Chemical Property of 2-METHYL-N1-[4-(3-PYRIDINYL)-2-PYRIMIDINYL]-1,4-BENZENEDIAMINE

Chemical Property:

• Vapor Pressure: 1.12E-11mmHg at 25°C
• Refractive Index: 1.688
• Boiling Point: 538.8°Cat760mmHg
• PKA: 5.37±0.10(Predicted)
• Flash Point: 279.6°C
• PSA: 76.72000
• Density: 1.266g/cm³
• LogP: 3.82700

Purity/Quality:

99%+, ^*data from raw suppliers

N-(4-Amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidineamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Intermediate in the preparation of Imatinib impurities.

Technology Process of 2-METHYL-N1-[4-(3-PYRIDINYL)-2-PYRIMIDINYL]-1,4-BENZENEDIAMINE

There total 3 articles about 2-METHYL-N1-[4-(3-PYRIDINYL)-2-PYRIMIDINYL]-1,4-BENZENEDIAMINE 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:

3-(N,N-dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one (55314-16-4,75415-01-9,123367-26-0) → 2-methyl-N1-[4-(pyridine-3-yl)-pyrimidin-2-yl]benzene-1,4-diamine (112696-91-0)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydroxide / isopropyl alcohol / 24 h / Reflux; Inert atmosphere

2: copper(l) iodide; potassium carbonate; N,N`-dimethylethylenediamine / 1,4-dioxane / 24 h / 120 °C / Inert atmosphere

3: tin(ll) chloride / ethyl acetate; methanol / 24 h / 80 °C / Inert atmosphere

With copper(l) iodide; potassium carbonate; tin(ll) chloride; sodium hydroxide; N,N`-dimethylethylenediamine; In 1,4-dioxane; methanol; ethyl acetate; isopropyl alcohol;

DOI:10.1039/c8cc09558b

Reference yield:

4-pyridin-3-ylpyrimidin-2-ylamine (66521-66-2) → 2-methyl-N1-[4-(pyridine-3-yl)-pyrimidin-2-yl]benzene-1,4-diamine (112696-91-0)

Guidance literature:

Multi-step reaction with 2 steps

1: copper(l) iodide; potassium carbonate; N,N`-dimethylethylenediamine / 1,4-dioxane / 24 h / 120 °C / Inert atmosphere

2: tin(ll) chloride / ethyl acetate; methanol / 24 h / 80 °C / Inert atmosphere

With copper(l) iodide; potassium carbonate; tin(ll) chloride; N,N`-dimethylethylenediamine; In 1,4-dioxane; methanol; ethyl acetate;

DOI:10.1039/c8cc09558b

Reference yield:

→ 2-methyl-N1-[4-(pyridine-3-yl)-pyrimidin-2-yl]benzene-1,4-diamine (112696-91-0)

Guidance literature:

upstream raw materials:

4-pyridin-3-ylpyrimidin-2-ylamine

3-(N,N-dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one

Downstream raw materials:

N-[3-methyl-4-(4-pyridin-3-ylpyrimidin-2-ylamino)phenyl]-3,5-dinitrobenzamide

Refernces

• 1、 -. "N-phenyl-2-pyrimidine-amine derivatives and process for the preparation thereof". Page 10. . Retrieved 2008/06/13.
• 2、 -. "N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF". Page 23. . Retrieved 2010/02/09.