4H-1-Benzopyran-4-one, 3-(6-(4-bromophenyl)imidazo(2,1-b)thiazol-3-yl)-6-chloro-2,7-dimethyl-

Base Information

• Chemical Name: 4H-1-Benzopyran-4-one, 3-(6-(4-bromophenyl)imidazo(2,1-b)thiazol-3-yl)-6-chloro-2,7-dimethyl-
• CAS No.: 104819-42-3
• Molecular Formula: C₂₂H₁₄BrClN₂O₂S
• Molecular Weight: 485.788
• DSSTox Substance ID: DTXSID70146767
• Mol file: 104819-42-3.mol

Synonyms:104819-42-3;BRN 5651504;4H-1-Benzopyran-4-one, 3-(6-(4-bromophenyl)imidazo(2,1-b)thiazol-3-yl)-6-chloro-2,7-dimethyl-;3-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-6-chloro-2,7-dimethylchromen-4-one;3-(6-(4-Bromophenyl)imidazo(2,1-b)thiazol-3-yl)-6-chloro-2,7-dimethyl-4H-1-benzopyran-4-one;Chromone, 3-(6-(4-bromophenyl)imidazo(2,1-b)thiazol-3-yl)-6-chloro-2,7-dimethyl-;3-[3-(4-bromophenyl)-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4,7-trien-8- yl]-6-chloro-2,7-dimethyl-chr;C22H14BrClN2O2S;DTXSID70146767;KQGHCUAFIWHZBC-UHFFFAOYSA-N;LS-39456;3-(6-(4-Bromophenyl)imidazo[2,1-b]thiazol-3-yl)-6-chloro-2,7-dimethyl-4H-chromen-4-one;3-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-6-chloro-2,7-dimethyl-4H-chromen-4-one

Chemical Property of 4H-1-Benzopyran-4-one, 3-(6-(4-bromophenyl)imidazo(2,1-b)thiazol-3-yl)-6-chloro-2,7-dimethyl-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 75.75000
• Density: 1.63g/cm³
• LogP: 6.86890
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 483.96479
• Heavy Atom Count: 29
• Complexity: 698

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1Cl)C(=O)C(=C(O2)C)C3=CSC4=NC(=CN34)C5=CC=C(C=C5)Br

Technology Process of 4H-1-Benzopyran-4-one, 3-(6-(4-bromophenyl)imidazo(2,1-b)thiazol-3-yl)-6-chloro-2,7-dimethyl-

There total 2 articles about 4H-1-Benzopyran-4-one, 3-(6-(4-bromophenyl)imidazo(2,1-b)thiazol-3-yl)-6-chloro-2,7-dimethyl- 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: 60.0%

3-(2-Amino-thiazol-4-yl)-6-chloro-2,7-dimethyl-chromen-4-one (92675-39-3) + para-bromophenacyl bromide (99-73-0,132309-76-3) → 3-[6-(4-Bromo-phenyl)-imidazo[2,1-b]thiazol-3-yl]-6-chloro-2,7-dimethyl-chromen-4-one (104819-42-3)

Guidance literature:

In ethanol; for 6h; Heating;

Reference yield:

3-Acetyl-6-chloro-2,7-dimethylchromone (92675-27-9) → 3-[6-(4-Bromo-phenyl)-imidazo[2,1-b]thiazol-3-yl]-6-chloro-2,7-dimethyl-chromen-4-one (104819-42-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / iodine / Heating

2: 60 percent / ethanol / 6 h / Heating

With iodine; In ethanol;

upstream raw materials:

3-(2-Amino-thiazol-4-yl)-6-chloro-2,7-dimethyl-chromen-4-one

para-bromophenacyl bromide

3-Acetyl-6-chloro-2,7-dimethylchromone