7-Chloroimidazo[1,2-a]pyrimidin-5(1H)-one

Base Information

• Chemical Name: 7-Chloroimidazo[1,2-a]pyrimidin-5(1H)-one
• CAS No.: 57473-33-3
• Molecular Formula: C6H4ClN3O
• Molecular Weight: 169.56800
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20482763
• Wikidata: Q72452134
• Mol file: 57473-33-3.mol

Synonyms:7-Chloroimidazo[1,2-a]pyrimidin-5(1H)-one;57473-33-3;7-chloro-8H-imidazo[1,2-a]pyrimidin-5-one;7-Chloroimidazo[1,2-a]pyrimidin-5(8H)-one;7-CHLOROIMIDAZO[1,2-A]PYRIMIDIN-5-OL;7-chloro-1H,5H-imidazo[1,2-a]pyrimidin-5-one;SCHEMBL6021715;DTXSID20482763;MFCD14706869;MFCD26743841;RB3267;AKOS015848397;DS-2653;SY034411;CS-0094356;FT-0689431;A869676

Chemical Property of 7-Chloroimidazo[1,2-a]pyrimidin-5(1H)-one

Chemical Property:

• Melting Point: 266-267℃ (decomposition)
• PSA: 50.16000
• LogP: 0.67600
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 169.0042895
• Heavy Atom Count: 11
• Complexity: 228

Purity/Quality:

97% ^*data from raw suppliers

7-Chloroimidazo[1,2-a]pyrimidin-5(1H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN2C(=O)C=C(NC2=N1)Cl

Technology Process of 7-Chloroimidazo[1,2-a]pyrimidin-5(1H)-one

There total 3 articles about 7-Chloroimidazo[1,2-a]pyrimidin-5(1H)-one 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:

5,7-dichloroimidazo[1,2-a]pyrimidine hydrochloride (57473-32-2) → 7-chloro-1H-imidazo<1,2-a>pyrimidin-5-one (57473-33-3)

Guidance literature:

With sodium hydroxide; at 100 ℃;

DOI:10.1016/j.bmcl.2012.01.092

Reference yield:

C6H5N3O2 (1366126-57-9) → 7-chloro-1H-imidazo<1,2-a>pyrimidin-5-one (57473-33-3)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate / 80 °C

2: sodium hydroxide / 100 °C

With sodium hydroxide; trichlorophosphate;

DOI:10.1016/j.bmcl.2012.01.092

Reference yield:

→ 7-chloro-1H-imidazo<1,2-a>pyrimidin-5-one (57473-33-3)

Guidance literature:

5,7-Dichlorimidazo<1,2-a>pyrimidin-5-on, waessr. NaOH, 100 grad;

DOI:10.1021/jm00246a018

upstream raw materials:

C₆H₅N₃O₂

5,7-dichloroimidazo[1,2-a]pyrimidine hydrochloride

Downstream raw materials:

C₁₃H₉ClFN₃O

C₁₅H₁₁ClF₃N₃O

C₁₄H₁₂ClN₃O

C₁₃H₈Cl₂FN₃O