N-(dicyclopropylmethyl)-N-propyl-4-(2,4,6-trimethoxyphenyl)pyrimidin-2-amine

Base Information

• Chemical Name: N-(dicyclopropylmethyl)-N-propyl-4-(2,4,6-trimethoxyphenyl)pyrimidin-2-amine
• CAS No.: 186342-55-2
• Molecular Formula: C₂₃H₃₁N₃O₃
• Molecular Weight: 397.517
• UNII: XUG7ZGW4UN
• ChEMBL ID: CHEMBL65484
• Pharos Ligand ID: JDYA86DZ5TFH
• Mol file: 186342-55-2.mol

Synonyms:XUG7ZGW4UN;UNII-XUG7ZGW4UN;NBI27155;NBI-27155;CHEMBL65484;N-(dicyclopropylmethyl)-N-propyl-4-(2,4,6-trimethoxyphenyl)pyrimidin-2-amine;2-Pyrimidinamine, N-(dicyclopropylmethyl)-n-propyl-4-(2,4,6-trimethoxyphenyl)-;186342-55-2;SCHEMBL8720092;BDBM50144193;Dicyclopropylmethyl-propyl-[4-(2,4,6-trimethoxy-phenyl)-pyrimidin-2-yl]-amine

Chemical Property of N-(dicyclopropylmethyl)-N-propyl-4-(2,4,6-trimethoxyphenyl)pyrimidin-2-amine

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 397.23654186
• Heavy Atom Count: 29
• Complexity: 488

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCN(C1=NC=CC(=N1)C2=C(C=C(C=C2OC)OC)OC)C(C3CC3)C4CC4

Technology Process of N-(dicyclopropylmethyl)-N-propyl-4-(2,4,6-trimethoxyphenyl)pyrimidin-2-amine

There total 9 articles about N-(dicyclopropylmethyl)-N-propyl-4-(2,4,6-trimethoxyphenyl)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: 75.0%

→ enaminone + 2-(N-dicyclopropylmethyl-N-propylamino)-4-(2',4',6'-trimethoxyphenyl)pyrimidine (186342-55-2)

Guidance literature:

Reference yield:

1-iodo-propane (107-08-4) + dicyclopropylmethyl-[4-(2,4,6-trimethoxy-phenyl)-pyrimidin-2-yl]-amine → 2-(N-dicyclopropylmethyl-N-propylamino)-4-(2',4',6'-trimethoxyphenyl)pyrimidine (186342-55-2)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.bmcl.2004.02.053

Reference yield:

1-(2,4,6-trimethoxyphenyl)ethanone (832-58-6) → 2-(N-dicyclopropylmethyl-N-propylamino)-4-(2',4',6'-trimethoxyphenyl)pyrimidine (186342-55-2)

Guidance literature:

Multi-step reaction with 5 steps

1: Heating

2: EtONa / ethanol / Heating

3: TiCl₄ / CH₂Cl₂

4: NaBH₄ / methanol

5: NaH / dimethylformamide / 20 °C

With sodium tetrahydroborate; sodium ethanolate; titanium tetrachloride; sodium hydride; In methanol; ethanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2004.02.053

upstream raw materials:

1-iodo-propane

(2,4,6-trimethoxyphenyl)boronic acid

1-(2,4,6-trimethoxyphenyl)ethanone