4-(2-Hydroxyethylamino)-2-(5-nitro-2-thienyl)quinazoline

Base Information

• Chemical Name: 4-(2-Hydroxyethylamino)-2-(5-nitro-2-thienyl)quinazoline
• CAS No.: 33389-36-5
• Molecular Formula: C₁₄H₁₂N₄O₃S
• Molecular Weight: 316.34
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID6020727
• Wikidata: Q81983617
• ChEMBL ID: CHEMBL403713
• Mol file: 33389-36-5.mol

Synonyms:33389-36-5;4-(2-Hydroxyethylamino)-2-(5-nitro-2-thienyl)quinazoline;2-(2-(5-Nitro-2-thienyl)-4-quinazolinyl)aminoethanol;2-((2-(5-Nitrothiophen-2-yl)quinazolin-4-yl)amino)ethanol;CCRIS 1076;BRN 0571134;Quinazoline, 4-(2-hydroxyethylamino)-2-(5-nitro-2-thienyl)-;CHEMBL403713;DTXSID6020727;2-{[2-(5-nitro-2-thienyl)quinazolin-4-yl]amino}ethanol;4-[(2-hydroxyethyl)amino]-2-(5-nitro-2-thienyl)quinazoline;2-{[2-(5-nitrothiophen-2-yl)quinazolin-4-yl]amino}ethan-1-ol

Chemical Property of 4-(2-Hydroxyethylamino)-2-(5-nitro-2-thienyl)quinazoline

Chemical Property:

• Vapor Pressure: 4.78E-10mmHg at 25°C
• Refractive Index: 1.6200 (estimate)
• Boiling Point: 480.6°Cat760mmHg
• Flash Point: 244.5°C
• PSA: 135.33000
• Density: 1.505g/cm³
• LogP: 2.61580
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 316.06301143
• Heavy Atom Count: 22
• Complexity: 395

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(S3)[N+](=O)[O-])NCCO

Technology Process of 4-(2-Hydroxyethylamino)-2-(5-nitro-2-thienyl)quinazoline

There total 6 articles about 4-(2-Hydroxyethylamino)-2-(5-nitro-2-thienyl)quinazoline 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:

5-nitro-2-thiophenecarboxaldehyde (4521-33-9) → 4-(2-Hydroxyethylamino)-2-(5-nitro-2-thienyl)-chinazolin (33389-36-5)

Guidance literature:

Multi-step reaction with 4 steps

1: aq. HCl / ethanol / Heating

2: <1,4>benzoquinone / ethanol; dimethylformamide / Heating

3: PCl₅ / POCl₃ / Heating

4: dimethylformamide / Heating

With hydrogenchloride; phosphorus pentachloride; p-benzoquinone; In ethanol; N,N-dimethyl-formamide; trichlorophosphate;

DOI:10.1021/jm00271a036

Reference yield:

anthranilic acid amide (28144-70-9,88-68-6) → 4-(2-Hydroxyethylamino)-2-(5-nitro-2-thienyl)-chinazolin (33389-36-5)

Guidance literature:

Multi-step reaction with 4 steps

1: aq. HCl / ethanol / Heating

2: <1,4>benzoquinone / ethanol; dimethylformamide / Heating

3: PCl₅ / POCl₃ / Heating

4: dimethylformamide / Heating

With hydrogenchloride; phosphorus pentachloride; p-benzoquinone; In ethanol; N,N-dimethyl-formamide; trichlorophosphate;

DOI:10.1021/jm00271a036

Reference yield:

2-(5-nitro-thiophen-2-yl)-3H-quinazolin-4-one (33389-34-3) → 4-(2-Hydroxyethylamino)-2-(5-nitro-2-thienyl)-chinazolin (33389-36-5)

Guidance literature:

Multi-step reaction with 2 steps

1: PCl₅ / POCl₃ / Heating

2: dimethylformamide / Heating

With phosphorus pentachloride; In N,N-dimethyl-formamide; trichlorophosphate;

DOI:10.1021/jm00271a036

upstream raw materials:

4-chloro-2-(5-nitro-thiophen-2-yl)-quinazoline

ethanolamine

5-nitro-2-thiophenecarboxaldehyde

anthranilic acid amide