3-Bromo-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

Base Information

• Chemical Name: 3-Bromo-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
• CAS No.: 375857-65-1
• Molecular Formula: C7H3BrF3N3
• Molecular Weight: 266.02
• Hs Code.: 29335990
• DSSTox Substance ID: DTXSID40464480
• Wikidata: Q72513425
• Mol file: 375857-65-1.mol

Synonyms:3-bromo-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine;375857-65-1;3-BROMO-7-TRIFLUOROMETHYLIMIDAZO[1,2-A]PYRIMIDINE;3-Bromo-7-trifluoromethyl-imidazo[1,2-a]pyrimidine;MFCD08234995;Imidazo[1,2-a]pyrimidine, 3-bromo-7-(trifluoromethyl)-;SCHEMBL5261894;DTXSID40464480;AMY18916;CS-D1596;AKOS005257559;AB43720;DS-0296;SY007250;TS-03491;FT-0648562;EN300-6489305;A874061;3-bromo-7-trifluoromethyl imidazo[1,2-a]pyrimidine;3-Bromo-7-(trifluoromethyl)-imidazo[1,2-a]pyrimidine;3-Bromo-7-trifluoromethylimidazo[1,2-alpha]pyrimidine;3-Bromo-7-(trifluoromethyl)imidazo[1 pound not2-a]pyrimidine

Chemical Property of 3-Bromo-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

Chemical Property:

• Refractive Index: 1.62
• PSA: 30.19000
• Density: 1.969 g/cm³
• LogP: 2.51060
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 264.94624
• Heavy Atom Count: 14
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN2C(=CN=C2N=C1C(F)(F)F)Br

Technology Process of 3-Bromo-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

There total 4 articles about 3-Bromo-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine 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: 69.0%

7-trifluoromethylimidazo[1,2-a]pyrimidine hydrobromide → 3-bromo-7-(trifluoromethyl)imidazo[1,2-a]-pyrimidine (375857-65-1)

Guidance literature:

With bromine; sodium acetate; potassium bromide; In methanol; at 1 - 2 ℃; for 1h;

DOI:10.1021/jm051065l

Reference yield:

7-(trifluoromethyl)imidazo[1,2-a]pyrimidine + C7H4F3N3 → 3-bromo-7-(trifluoromethyl)imidazo[1,2-a]-pyrimidine (375857-65-1)

Guidance literature:

With bromine; sodium acetate; potassium bromide; In methanol; at 0 - 5 ℃;

DOI:10.1021/op050217j

Reference yield:

2-amino-4-trifluoromethylpyrimidine (16075-42-6) → 3-bromo-7-(trifluoromethyl)imidazo[1,2-a]-pyrimidine (375857-65-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / aq. HBr / ethanol / 24 h / Heating

2: 69 percent / KBr; NaOAc; Br₂ / methanol / 1 h / 1 - 2 °C

With hydrogen bromide; bromine; sodium acetate; potassium bromide; In methanol; ethanol;

DOI:10.1021/jm051065l

upstream raw materials:

2-amino-4-trifluoromethylpyrimidine

2-Methyl-4-trifluoromethyl-pyrimidine

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