N-(4-methoxyphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine

Base Information

• Chemical Name: N-(4-methoxyphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine
• CAS No.: 112675-67-9
• Molecular Formula: C16H14N4O
• Molecular Weight: 278.313
• ChEMBL ID: CHEMBL93176
• DSSTox Substance ID: DTXSID30559218
• Wikidata: Q82441872

Synonyms:112675-67-9;N-(4-methoxyphenyl)-4-pyridin-3-ylpyrimidin-2-amine;2-Pyrimidinamine, N-(4-methoxyphenyl)-4-(3-pyridinyl)-;N-(4-Methoxyphenyl)-4-(3-pyridinyl)-2-pyrimidinamine;N-(4-methoxyphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine;CHEMBL93176;SCHEMBL7466239;DTXSID30559218;DUGLDJCYQADWEU-UHFFFAOYSA-N;AKOS005720386;N-(4-methoxyphenyl)-N-[4-(3-pyridyl)-2-pyrimidinyl]amine

Chemical Property of N-(4-methoxyphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 278.11676108
• Heavy Atom Count: 21
• Complexity: 307

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CN=CC=C3

Technology Process of N-(4-methoxyphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine

There total 6 articles about N-(4-methoxyphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine 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: 81.0%

4-chloromethoxybenzene (623-12-1) + 4-pyridin-3-ylpyrimidin-2-ylamine (66521-66-2) → N-(4-methoxyphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine (112675-67-9)

Guidance literature:

With N,N'-dibenzylethanediamide; copper(I) bromide; sodium t-butanolate; In tert-butyl alcohol; at 130 ℃; for 24h; Molecular sieve; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.9b02509

Reference yield: 60.0%

4-methoxy-aniline (104-94-9) + 2-chloro-4-(pyridin-3-yl)pyrimidine (483324-01-2) → N-(4-methoxyphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine (112675-67-9)

Guidance literature:

With toluene-4-sulfonic acid; In 1,4-dioxane; at 100 ℃;

DOI:10.1021/ol051339z

Reference yield: 60.0%

1-guanidino-4-methoxybenzene hydrochloride (73709-20-3) + 3-(dimethylamino)-1-(3-pyridinyl)-2-propen-1-one (75415-01-9) → N-(4-methoxyphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine (112675-67-9)

Guidance literature:

With potassium carbonate; In 2-methoxy-ethanol; for 25h; Heating;

DOI:10.1021/jm00071a002

upstream raw materials:

1-guanidino-4-methoxybenzene hydrochloride

3-(dimethylamino)-1-(3-pyridinyl)-2-propen-1-one

4-methoxy-aniline

2-chloro-4-(pyridin-3-yl)pyrimidine

Downstream raw materials:

4-<<4-(3-pyridinyl)-2-pyrimidinyl>amino>phenol

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