6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine

Base Information

• Chemical Name: 6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
• CAS No.: 113512-19-9
• Molecular Formula: C₁₃H₁₆N₄O
• Molecular Weight: 244.296
• ChEMBL ID: CHEMBL281412
• DSSTox Substance ID: DTXSID80552638
• Nikkaji Number: J1.719.733I
• Wikidata: Q82432996
• Mol file: 113512-19-9.mol

Synonyms:6-ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine;113512-19-9;CHEMBL281412;SCHEMBL12368248;BDBM18780;DTXSID80552638

Chemical Property of 6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 244.13241115
• Heavy Atom Count: 18
• Complexity: 255

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)OC

Technology Process of 6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine

There total 10 articles about 6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-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:

p-methoxybenzylnitrile (104-47-2) → 2,4-diamino-6-ethyl-5-(4-methoxyphenyl)pyrimidine (113512-19-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: LDA / tetrahydrofuran / 0.17 h / -78 °C

1.2: tetrahydrofuran / -78 °C

2.1: dioxane / 20 °C

3.1: dimethylsulfoxide / 0.08 h / 80 °C

With lithium diisopropyl amide; In tetrahydrofuran; 1,4-dioxane; dimethyl sulfoxide;

DOI:10.1021/jm010131q

Reference yield:

guanidine nitrate (113-00-8) + (E)-3-Methoxy-2-(4-methoxy-phenyl)-pent-2-enenitrile → 2,4-diamino-6-ethyl-5-(4-methoxyphenyl)pyrimidine (113512-19-9)

Guidance literature:

In dimethyl sulfoxide; at 80 ℃; for 0.0833333h;

DOI:10.1021/jm010131q

Reference yield:

C13H15NO2 + guanidine hydrochloride (50-01-1) → 2,4-diamino-6-ethyl-5-(4-methoxyphenyl)pyrimidine (113512-19-9)

Guidance literature:

With sodium hydrogencarbonate; In dimethyl sulfoxide; at 90 ℃; for 5h; Inert atmosphere;

DOI:10.1021/jm5017895

upstream raw materials:

2,4-diamino-5-(4-azido-3-methoxyphenyl)-6-ethylpyrimidine

guanidine nitrate

2-(4-methoxyphenyl)-3-oxopentanenitrile

p-methoxybenzylnitrile

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