2-(4-(3-(Furan-3-yl)-acryloyl)piperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline

Base Information

• Chemical Name: 2-(4-(3-(Furan-3-yl)-acryloyl)piperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline
• CAS No.: 70842-93-2
• Molecular Formula: C21H23N5O4
• Molecular Weight: 409.4384
• Nikkaji Number: J274.802I
• ChEMBL ID: CHEMBL335637
• Mol file: 70842-93-2.mol

Synonyms:70842-93-2;2-(4-(3-(Furan-3-yl)-acryloyl)piperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline;1-(4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl)-3-(furan-3-yl)prop-2-en-1-one;Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(3-(3-furanyl)-1-oxo-2-propenyl)-, hydrochloride;C21H23N5O4;CHEMBL335637;SCHEMBL11467295;LS-110230;4-Amino-2-[4-[3-(3-furanyl)propenoyl]-1-piperazinyl]-6,7-dimethoxyquinazoline;(2E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-(furan-3-yl)prop-2-en-1-one

Chemical Property of 2-(4-(3-(Furan-3-yl)-acryloyl)piperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline

Chemical Property:

• Vapor Pressure: 2.9E-19mmHg at 25°C
• Boiling Point: 696.8°C at 760 mmHg
• Flash Point: 375.2°C
• Density: 1.335g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 409.17500423
• Heavy Atom Count: 30
• Complexity: 612

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C=CC4=COC=C4)N)OC
• Isomeric SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)/C=C/C4=COC=C4)N)OC

Technology Process of 2-(4-(3-(Furan-3-yl)-acryloyl)piperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline

There total 5 articles about 2-(4-(3-(Furan-3-yl)-acryloyl)piperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline 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:

2-chloro-6,7-dimethoxyquinazolin-4-amine (23680-84-4) → 1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-(3-furan-3-yl-acryloyl)-piperazine (70842-93-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 33.4 g / 3-methyl-butan-1-ol / 1 h / Heating

2: 10percent aq. HCl / 1.5 h / Heating

3: Et₃N / Ambient temperature

With hydrogenchloride; triethylamine; In i-Amyl alcohol;

DOI:10.1021/jm00357a016

Reference yield:

3-(furan-3-yl)prop-2-enoic acid (39244-10-5) → 1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-(3-furan-3-yl-acryloyl)-piperazine (70842-93-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / 3.5 h

2: Et₃N / Ambient temperature

With triethylamine;

DOI:10.1021/jm00357a016

Reference yield:

4-amino-6,7-dimethoxy-2-(4-formylpiperazino)quinazoline hydrochloride (84050-21-5) → 1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-(3-furan-3-yl-acryloyl)-piperazine (70842-93-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 10percent aq. HCl / 1.5 h / Heating

2: Et₃N / Ambient temperature

With hydrogenchloride; triethylamine;

DOI:10.1021/jm00357a016

upstream raw materials:

2-piperazinyl-4-amino-6,7-dimethoxyquinazoline hydrochloride

3-(furan-3-yl)prop-2-enoic acid

4-amino-6,7-dimethoxy-2-(4-formylpiperazino)quinazoline hydrochloride

2-chloro-6,7-dimethoxyquinazolin-4-amine