6-tert-Butyl-3-formylpyridine

Base Information

• Chemical Name: 6-tert-Butyl-3-formylpyridine
• CAS No.: 391900-69-9
• Molecular Formula: C10H13 N O
• Molecular Weight: 163.219
• Hs Code.: 2933399090
• European Community (EC) Number: 855-554-3
• DSSTox Substance ID: DTXSID20459733
• Nikkaji Number: J1.628.360F
• Wikidata: Q82283563
• Mol file: 391900-69-9.mol

Synonyms:6-tert-Butyl-3-formylpyridine;391900-69-9;6-(tert-Butyl)nicotinaldehyde;6-tert-butylpyridine-3-carbaldehyde;6-tert-Butyl-pyridine-3-carbaldehyde;6-TERT-BUTYLNICOTINALDEHYDE;SCHEMBL250810;DTXSID20459733;QOZRGMFRRCQYGU-UHFFFAOYSA-N;MFCD09029652;AKOS006289333;AB49282;AS-37134;BB 0261496;CS-0171692;FT-0705657;EN300-1704470;Z1198182869

Chemical Property of 6-tert-Butyl-3-formylpyridine

Chemical Property:

• Boiling Point: 250.7±28.0 °C(Predicted)
• PKA: 3.93±0.10(Predicted)
• PSA: 29.96000
• Density: 1.013±0.06 g/cm3(Predicted)
• LogP: 2.19160
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 163.099714038
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

98%min ^*data from raw suppliers

6-tert-Butyl-3-formylpyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=NC=C(C=C1)C=O

Technology Process of 6-tert-Butyl-3-formylpyridine

There total 1 articles about 6-tert-Butyl-3-formylpyridine 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-bromo-2-(tert-butyl)pyridine (39919-58-9) + Methyl formate (107-31-3) → 6-(1,1-Dimethylethyl)pyridine-3-carbaldehyde (391900-69-9)

Guidance literature:

5-bromo-2-(tert-butyl)pyridine; With n-butyllithium; In diethyl ether; hexane; at -78 ℃; for 0.333333h; Inert atmosphere;

Methyl formate; In diethyl ether; hexane; at -78 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1021/ol502016h

Reference yield: 70.0%

6-(1,1-Dimethylethyl)pyridine-3-carbaldehyde (391900-69-9) → (6-tert-butylpyridin-3-yl)methanamine (124800-33-5)

Guidance literature:

6-(1,1-Dimethylethyl)pyridine-3-carbaldehyde; With hydroxylamine hydrochloride; sodium acetate; In ethanol; for 1h; Reflux;

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 24h; Inert atmosphere;

With methanol; In tetrahydrofuran;

upstream raw materials:

5-bromo-2-(tert-butyl)pyridine

Methyl formate

Downstream raw materials:

(6-tert-butylpyridin-3-yl)methanamine

Refernces