5-Bromo-2-(tert-butoxy)pyridine

Base Information

• Chemical Name: 5-Bromo-2-(tert-butoxy)pyridine
• CAS No.: 850495-91-9
• Molecular Formula: C9H12BrNO
• Molecular Weight: 230.104
• Hs Code.: 2933399090
• European Community (EC) Number: 852-140-4
• DSSTox Substance ID: DTXSID60479839
• Nikkaji Number: J2.749.866C
• Wikidata: Q82314126
• Mol file: 850495-91-9.mol

Synonyms:5-Bromo-2-(tert-butoxy)pyridine;850495-91-9;5-bromo-2-tert-butoxypyridine;5-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine;5-Bromo-2-(t-butoxy)pyridine;SCHEMBL1862755;2-tert.-Butoxyl-2-bromopyridine;DTXSID60479839;MFCD08689444;AKOS005263904;MB06466;AS-48186;CS-0231666;FT-0751712;EN300-109351;F19673;J-400311;Z808608886

Chemical Property of 5-Bromo-2-(tert-butoxy)pyridine

Chemical Property:

• PSA: 22.12000
• LogP: 3.02140
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 229.01023
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-2-(tert-butoxy)pyridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC1=NC=C(C=C1)Br

Technology Process of 5-Bromo-2-(tert-butoxy)pyridine

There total 2 articles about 5-Bromo-2-(tert-butoxy)pyridine 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: 56.0%

2,5-dibromopyridine (624-28-2) + sodium t-butanolate (865-48-5) → 5-bromo-2-(1,1-dimethylethoxy)pyridine (850495-91-9)

Guidance literature:

In toluene; for 2.5h; Heating;

DOI:10.1016/j.tet.2005.01.063

Reference yield: 52.0%

2,5-dibromopyridine (624-28-2) + potassium tert-butylate (865-47-4) → 5-bromo-2-(1,1-dimethylethoxy)pyridine (850495-91-9)

Guidance literature:

In toluene; for 2.5h; Inert atmosphere; Reflux;

DOI:10.1021/ol1007907

Reference yield: 91.0%

o-chloroaniline (95-51-2) + 5-bromo-2-(1,1-dimethylethoxy)pyridine (850495-91-9) → 6-(tert-butoxy)-N-(2-chlorophenyl)pyridin-3-amine (1300728-50-0)

Guidance literature:

With palladium diacetate; caesium carbonate; XPhos; In toluene; at 100 ℃; for 15h; Inert atmosphere;

DOI:10.1021/jo200425m

upstream raw materials:

2,5-dibromopyridine

sodium t-butanolate

potassium tert-butylate

Downstream raw materials:

C₂₅H₂₉F₃N₂O₂

6-(tert-butoxy)-N-(2-chlorophenyl)pyridin-3-amine

2-(tert-butoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine