Tert-butyl 2-(5-nitropyridin-2-YL)acetate

Base Information

• Chemical Name: Tert-butyl 2-(5-nitropyridin-2-YL)acetate
• CAS No.: 790714-73-7
• Molecular Formula: C₁₁H₁₄N₂O₄
• Molecular Weight: 238.243
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70697547
• Nikkaji Number: J2.090.172A
• Wikidata: Q82627471
• Mol file: 790714-73-7.mol

Synonyms:TERT-BUTYL 2-(5-NITROPYRIDIN-2-YL)ACETATE;790714-73-7;tert-Butyl2-(5-nitropyridin-2-yl)acetate;DTXSID70697547;MFCD16036590;tert-Butyl (5-nitropyridin-2-yl)acetate;FT-0749202;5-Nitropyridine-2-acetic acid tert-butyl ester;F72971

Chemical Property of Tert-butyl 2-(5-nitropyridin-2-YL)acetate

Chemical Property:

• PSA: 85.01000
• LogP: 2.39720
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 238.09535693
• Heavy Atom Count: 17
• Complexity: 293

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl2-(5-nitropyridin-2-yl)acetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CC1=NC=C(C=C1)[N+](=O)[O-]

Technology Process of Tert-butyl 2-(5-nitropyridin-2-YL)acetate

There total 1 articles about Tert-butyl 2-(5-nitropyridin-2-YL)acetate 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:

2-bromo-5-nitropyridine (4487-59-6) + bromoacetic acid tert-butyl ester (5292-43-3) → tert-butyl (5-nitropyridin-2-yl)acetate (790714-73-7)

Guidance literature:

bromoacetic acid tert-butyl ester; With iodine; zinc; In tetrahydrofuran; at 100 ℃; for 0.0833333h; microwave irradiation;

2-bromo-5-nitropyridine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 120 ℃; for 0.0833333h; Further stages.; microwave irradiation;

DOI:10.1016/j.tetlet.2004.08.074

upstream raw materials:

2-bromo-5-nitropyridine

bromoacetic acid tert-butyl ester