4-Chloro-2-(thiophen-2-yl)quinazoline

Base Information

• Chemical Name: 4-Chloro-2-(thiophen-2-yl)quinazoline
• CAS No.: 59455-95-7
• Molecular Formula: C12H7ClN2S
• Molecular Weight: 246.72
• European Community (EC) Number: 871-246-1
• DSSTox Substance ID: DTXSID30366500
• Wikidata: Q82151739
• Mol file: 59455-95-7.mol

Synonyms:59455-95-7;4-chloro-2-(thiophen-2-yl)quinazoline;4-chloro-2-thiophen-2-ylquinazoline;4-chloro-2-(2-thienyl)quinazoline;4-chloro-2-thien-2-ylquinazoline;SCHEMBL7285850;DTXSID30366500;XBTCAVUUTNKLJG-UHFFFAOYSA-N;HMS1717I20;STL301625;4-chloro-2-(2-thienyl)-quinazoline;AKOS000122761;WAY-632971;4-chloranyl-2-thiophen-2-yl-quinazoline;EN300-10487;A832328;Z57012281

Chemical Property of 4-Chloro-2-(thiophen-2-yl)quinazoline

Chemical Property:

• PSA: 54.02000
• LogP: 4.01170
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 246.0018471
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

4-CHLORO-2-(2-THIENYL)QUINAZOLINE 95.00% ^*data from reagent 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=CS3)Cl

Technology Process of 4-Chloro-2-(thiophen-2-yl)quinazoline

There total 12 articles about 4-Chloro-2-(thiophen-2-yl)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: 95.0%

2-(thiophen-2-yl)quinazolin-4-ol (26059-85-8) → 4-chloro-2-(thien-2-yl)quinazoline (59455-95-7)

Guidance literature:

With trichlorophosphate;

Reference yield: 83.5%

2-(2-thienyl)quinazolin-4(3H)-one (26059-85-8) → 4-chloro-2-(thien-2-yl)quinazoline (59455-95-7)

Guidance literature:

With trichlorophosphate; In chloroform; for 12h; Reflux; Inert atmosphere;

DOI:10.1039/c5ra17437f

Reference yield:

2-Thiophenecarbonyl chloride (5271-67-0) → 4-chloro-2-(thien-2-yl)quinazoline (59455-95-7)

Guidance literature:

Multi-step reaction with 4 steps

1: tetrahydrofuran / 2 h / 20 °C

2: Ac₂O / 1 h / Heating

3: AcONH₄ / 7 h / 220 °C

4: POCl₃ / 3 h / Heating

With ammonium acetate; acetic anhydride; trichlorophosphate; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2003.08.047

upstream raw materials:

2-(2-thienyl)quinazolin-4(3H)-one

2-(thiophen-2-yl)quinazolin-4-ol

2-Thiophen-2-yl-4H-3,1-benzoxazin-4-one

2-Thiophenecarbonyl chloride

Downstream raw materials:

2-(thiophen-2-yl)-4-(1-tosylpiperidin-4-yl)quinazoline