3-Isobutylpyridine

Base Information

• Chemical Name: 3-Isobutylpyridine
• CAS No.: 14159-61-6
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• Hs Code.: 2933399090
• European Community (EC) Number: 238-003-6
• UNII: 7V72L3X354
• DSSTox Substance ID: DTXSID1065716
• Nikkaji Number: J216.887A
• Wikidata: Q27268894
• Metabolomics Workbench ID: 47729
• Mol file: 14159-61-6.mol

Synonyms:3-Isobutylpyridine;14159-61-6;3-(2-Methylpropyl)pyridine;Pyridine, 3-(2-methylpropyl)-;3-isobutyl pyridine;beta-Isobutylpyridine;FEMA No. 3371;.beta.-Isobutylpyridine;Pyridine, 3-isobutyl-;3-isobutyl-pyridine;UNII-7V72L3X354;EINECS 238-003-6;7V72L3X354;3-Isobutylpyridin;beta -isobutylpyridine;3-Isobutylpyridine, 8CI;3-(2-Methylpropyl)-Pyridine;SCHEMBL103883;DTXSID1065716;SCHEMBL22350952;FEMA 3371;CHEBI:173363;MFCD02683082;AKOS025394360;AS-80344;3-(2-METHYLPROPYL)PYRIDINE [FHFI];FT-0637018;A885653;Q27268894

Chemical Property of 3-Isobutylpyridine

Chemical Property:

• Vapor Pressure: 0.503mmHg at 25°C
• Refractive Index: 1.491
• Boiling Point: 198.6 °C at 760 mmHg
• Flash Point: 67.2 °C
• PSA: 12.89000
• Density: 0.908 g/cm³
• LogP: 2.28010
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 88.7

Purity/Quality:

97% ^*data from raw suppliers

3-ISOBUTYLPYRIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1=CN=CC=C1
• Description: May be prepared from p-picoline with NaNH2 and alkyl chloride or bromide.

Technology Process of 3-Isobutylpyridine

There total 9 articles about 3-Isobutylpyridine 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: 81.0%

3-Methylpyridine (108-99-6) + isopropyl bromide (75-26-3) → 3-(2-methylpropyl)pyridine (14159-61-6)

Guidance literature:

3-Methylpyridine; With n-butyllithium; diisopropylamine; In tetrahydrofuran; at 0 ℃; for 1h;

isopropyl bromide; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1016/j.tet.2007.01.024

Reference yield: 77.0%

1,4-bis(trimethylsilyl)-1-aza-2,5-cyclohexadiene (29173-25-9) + isobutyraldehyde (78-84-2) → 3-(2-methylpropyl)pyridine (14159-61-6)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; for 7h; Heating;

DOI:10.1246/bcsj.60.1497

Reference yield: 58.0%

C12H15NO4 → 3-(2-methylpropyl)pyridine (14159-61-6)

Guidance literature:

With 2-(2'-pyridyl)benzimidazole; diphenylsilane; magnesium chloride; nickel dichloride; zinc; In N,N-dimethyl acetamide; at 40 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1055/a-1328-0352

upstream raw materials:

3-Methylpyridine

1,4-bis(trimethylsilyl)-1-aza-2,5-cyclohexadiene

isobutyraldehyde

isopropyl bromide