2-Bromo-5-(trifluoromethyl)pyrimidine

Base Information

• Chemical Name: 2-Bromo-5-(trifluoromethyl)pyrimidine
• CAS No.: 69034-09-9
• Molecular Formula: C₅H₂BrF₃N₂
• Molecular Weight: 226.983
• Hs Code.: 2933599090
• European Community (EC) Number: 976-028-0
• DSSTox Substance ID: DTXSID40604728
• Wikidata: Q82502749
• Mol file: 69034-09-9.mol

Synonyms:2-bromo-5-(trifluoromethyl)pyrimidine;69034-09-9;Pyrimidine, 2-bromo-5-(trifluoromethyl)-;MFCD14702304;SCHEMBL11403140;DTXSID40604728;TQP1259;BBL103076;STL556886;AKOS023796311;MB13635;DS-11980;SY248388;DB-074097;CS-0101604;C76181;A903107

Chemical Property of 2-Bromo-5-(trifluoromethyl)pyrimidine

Chemical Property:

• Boiling Point: 247.2±50.0 °C(Predicted)
• PKA: -3.61±0.22(Predicted)
• PSA: 25.78000
• Density: 1.807±0.06 g/cm3(Predicted)
• LogP: 2.25790
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 225.93535
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-5-(trifluoromethyl)pyrimidine 95.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=N1)Br)C(F)(F)F

Technology Process of 2-Bromo-5-(trifluoromethyl)pyrimidine

There total 1 articles about 2-Bromo-5-(trifluoromethyl)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:

5-(trifluoromethyl)pyrimidin-2-amine (69034-08-8) → 2-bromo-5-(trifluoromethyl)pyrimidine (69034-09-9)

Guidance literature:

With sodium hydroxide; sodium nitrate; bromine; In water; hydrogen bromide;

Reference yield:

2-bromo-5-(trifluoromethyl)pyrimidine (69034-09-9) + (3‐cyanophenyl)boronic acid (150255-96-2) → [3-[5-(trifluoromethyl)pyrimidin-2-yl]phenyl]methylamine hydrochloride

Guidance literature:

Multi-step reaction with 2 steps

1.1: [1,1'-bis(diphenylphosphino)ferrocene]dichloropalladium(II); sodium hydrogencarbonate / water; 1,4-dioxane / 1.5 h / 105 °C

2.1: hydrogen; acetic acid; palladium 10% on activated carbon / 3 h / 25 °C

2.2: 0.67 h / 20 °C

2.3: 0.5 h / 20 °C

With [1,1'-bis(diphenylphosphino)ferrocene]dichloropalladium(II); palladium 10% on activated carbon; hydrogen; sodium hydrogencarbonate; acetic acid; In 1,4-dioxane; water;

upstream raw materials:

5-(trifluoromethyl)pyrimidin-2-amine