5-Bromo-2-isopropoxypyrimidine

Base Information

• Chemical Name: 5-Bromo-2-isopropoxypyrimidine
• CAS No.: 121487-12-5
• Molecular Formula: C7H9BrN2O
• Molecular Weight: 217.065
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID90557876
• Wikidata: Q82439931
• Mol file: 121487-12-5.mol

Synonyms:5-bromo-2-isopropoxypyrimidine;121487-12-5;5-bromo-2-propan-2-yloxypyrimidine;5-Bromo-2-isoproxypyrimidine;Pyrimidine, 5-bromo-2-(1-methylethoxy)-;MFCD12024885;5-BROMO-2-(PROPAN-2-YLOXY)PYRIMIDINE;SCHEMBL736170;2-isopropoxy-5-bromo-pyrimidine;DTXSID90557876;BEBHDGQMLLXGDG-UHFFFAOYSA-N;WEA48712;AKOS013181157;MB11470;5-Bromo-2-[(propan-2-yl)oxy]pyrimidine;AS-64129;SY104695;CS-0129920;D82622;EN300-337168

Chemical Property of 5-Bromo-2-isopropoxypyrimidine

Chemical Property:

• Vapor Pressure: 0.012mmHg at 25°C
• Boiling Point: 269.164°C at 760 mmHg
• Flash Point: 116.587°C
• PSA: 35.01000
• Density: 1.452g/cm³
• LogP: 2.02630
• Storage Temp.: Room temperature.
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 215.98983
• Heavy Atom Count: 11
• Complexity: 113

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-2-isopropoxypyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=NC=C(C=N1)Br

Technology Process of 5-Bromo-2-isopropoxypyrimidine

There total 4 articles about 5-Bromo-2-isopropoxypyrimidine 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: 100.0%

5-Bromo-2-chloropyrimidine (32779-36-5) + isopropyl alcohol (67-63-0,8013-70-5) → 5-bromo-2-(propan-2-yloxy)pyrimidine (121487-12-5)

Guidance literature:

With sodium; at 20 ℃;

DOI:10.1021/jm2015809

Reference yield: 80.0%

5-bromo-1H-pyrimidin-2-one (38353-06-9) + isopropyl alcohol (67-63-0,8013-70-5) → 5-bromo-2-(propan-2-yloxy)pyrimidine (121487-12-5)

Guidance literature:

5-bromo-1H-pyrimidin-2-one; With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; caesium carbonate; In tetrahydrofuran; at 20 ℃; for 0.833333h; Inert atmosphere;

isopropyl alcohol; With caesium carbonate; at 20 ℃; for 3h;

DOI:10.1021/ol101655h

Reference yield: 76.0%

sodium isopropylate (683-60-3) + 5-Bromo-2-chloropyrimidine (32779-36-5) → 5-bromo-2-(propan-2-yloxy)pyrimidine (121487-12-5)

Guidance literature:

In isopropyl alcohol; Ambient temperature;

upstream raw materials:

sodium isopropylate

5-Bromo-2-chloropyrimidine

isopropyl alcohol

5-bromo-1H-pyrimidin-2-one

Downstream raw materials:

2-isopropoxy-5-phenylthiopyrimidine

N-{3-[4-(2-sopropoxypyrimidin-5-yloxy)phenyl]-1-methylpropyl}acetamide

(4-chloro-2-fluorophenyl)[2-(propan-2-yloxy)pyrimidin-5-yl]-pyridin-3-yl methanol

2-isopropoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine