4-(4-Methoxyphenyl)pyrimidin-2-amine

Base Information

• Chemical Name: 4-(4-Methoxyphenyl)pyrimidin-2-amine
• CAS No.: 99844-02-7
• Molecular Formula: C11H11N3O
• Molecular Weight: 201.228
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID40370693
• Nikkaji Number: J1.963.987H
• Wikidata: Q72438909
• ChEMBL ID: CHEMBL2023704
• Mol file: 99844-02-7.mol

Synonyms:4-(4-methoxyphenyl)pyrimidin-2-amine;99844-02-7;2-AMINO-4-(4-METHOXYPHENYL)PYRIMIDINE;CHEMBL2023704;MFCD00665912;4-(4-methoxyphenyl)-2-pyrimidinamine;2-Pyrimidinamine, 4-(4-methoxyphenyl)-;4-p-Anisylpyrimidine-2-amine;SCHEMBL2983473;AMY6461;DTXSID40370693;BBL028856;BDBM50381867;STK939129;AKOS000123973;SB60533;AC-33856;CS-0061969;FT-0739332;4-(4-Methoxyphenyl)-2-yl-pyriMidin-2-ylaMine;EN300-186470;2Y-0830;2-amino-4-(4-methoxyphenyl)pyrimidine, AldrichCPR;Z363993208

Chemical Property of 4-(4-Methoxyphenyl)pyrimidin-2-amine

Chemical Property:

• Vapor Pressure: 9.8E-08mmHg at 25°C
• Refractive Index: 1.608
• Boiling Point: 434 °C at 760 mmHg
• Flash Point: 216.3 °C
• PSA: 61.03000
• Density: 1.201 g/cm³
• LogP: 2.31560
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 201.090211983
• Heavy Atom Count: 15
• Complexity: 192

Purity/Quality:

98% ^*data from raw suppliers

4-(4-Methoxyphenyl)pyrimidin-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NC(=NC=C2)N

Technology Process of 4-(4-Methoxyphenyl)pyrimidin-2-amine

There total 11 articles about 4-(4-Methoxyphenyl)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: 89.0%

guanidine nitrate (506-93-4) + 3-dimethylamino-4'-methoxyacrylophenone (18096-70-3,78090-00-3) → 4-(4-methoxyphenyl)-2-yl-pyrimidin-2-ylamine (99844-02-7)

Guidance literature:

In butan-1-ol; for 12h; Reflux;

DOI:10.1016/j.bmcl.2016.05.019

Reference yield: 83.0%

(Z)-3-chloro-3-(4-methoxyphenyl)acrylaldehyde (14063-79-7) + guanidine hydrochloride (50-01-1) → 4-(4-methoxyphenyl)-2-yl-pyrimidin-2-ylamine (99844-02-7)

Guidance literature:

With potassium carbonate; In methanol; at 65 ℃; for 9h; Temperature; Solvent;

DOI:10.1002/ejoc.201700737

Reference yield: 66.0%

2-amino-4-chloropyrimidine (3993-78-0) + 4-methoxyphenylboronic acid (5720-07-0) → 4-(4-methoxyphenyl)-2-yl-pyrimidin-2-ylamine (99844-02-7)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; In 1,4-dioxane; water; at 95 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2020.112424

upstream raw materials:

guanidine nitrate

guanidine hydrochloride

1‐(4‐methoxyphenyl)‐3‐(trimethylsilyl)prop‐2‐yn‐1‐one

4-methoxy-benzoyl chloride

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