4-Isopropylpyridine

Base Information

• Chemical Name: 4-Isopropylpyridine
• CAS No.: 696-30-0
• Molecular Formula: C8H11N
• Molecular Weight: 121.182
• Hs Code.: 2933399090
• European Community (EC) Number: 211-794-5
• UNII: NC9488R41O
• DSSTox Substance ID: DTXSID7061013
• Nikkaji Number: J46.543G
• Wikidata: Q63392879
• Mol file: 696-30-0.mol

Synonyms:4-isopropylpyridine

Chemical Property of 4-Isopropylpyridine

Chemical Property:

• Vapor Pressure: 1.421mmHg at 25°C
• Melting Point: -54.9°C
• Refractive Index: 1.492
• Boiling Point: 177.146 °C at 760 mmHg
• PKA: pK1:6.02(＋1) (25°C)
• Flash Point: 54.823 °C
• PSA: 12.89000
• Density: 0.913 g/cm³
• LogP: 2.20500
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 121.089149355
• Heavy Atom Count: 9
• Complexity: 72.6

Purity/Quality:

98% ^*data from raw suppliers

4-Isopropylpyridine ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyridines
• Canonical SMILES: CC(C)C1=CC=NC=C1
• Uses: 4-Isopropylpyridine serves as a reagent in the synthesis of Bis(alkylpyridinium) with antifungal and cytotoxic properties.

Technology Process of 4-Isopropylpyridine

There total 38 articles about 4-Isopropylpyridine 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: 80.0%

2-(1-(methoxycarbonyl)-1,4-dihydropyridin-4-yl)-2-methylpropanoic acid (455258-20-5) → 4-s-propylpyridine (696-30-0)

Guidance literature:

With air; In toluene; Heating;

DOI:10.1002/ejoc.200500162

Reference yield: 74.0%

1-(2,5-Dimethyl-pyrrol-1-yl)-4-isopropyl-1,4-dihydro-pyridine → 4-s-propylpyridine (696-30-0)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); In tetrahydrofuran; for 20h; Heating;

Reference yield: 68.0%

(pyridin-4-yl)-α-methylstyrene (17755-30-5) → 4-s-propylpyridine (696-30-0)

Guidance literature:

With (bis-1,2-diphenylphosphinoethane)Co(CH₂SiMe₃)₂; hydrogen; In toluene; at -196.15 - 25 ℃; for 6h; under 3040.2 Torr; Reagent/catalyst; Sealed tube;

DOI:10.1021/ja507902z

upstream raw materials:

pyridine

2-iodo-propane

1-iodo-propane

4-Ethylpyridine

Downstream raw materials:

2-(4-pyridyl)propan-2-ol

4-tert-butylpyridine

4-Isopropylpiperidine

4-isopropylpyridine 1-oxide

Refernces

• 1、 He, Qian,Yang, Chunhao,Zhang, Xiaofei,Zhang, Zhucheng. "Photoredox-catalysed regioselective synthesis of C-4-alkylated pyridines with N -(acyloxy)phthalimides". supporting information. p. 1969 - 1973. Retrieved 2022/03/15.
• 2、 Baran, Phil S.,Choi, Jin,Godineau, Edouard,Laudadio, Gabriele. "Practical and Regioselective Synthesis of C-4-Alkylated Pyridines". supporting information. p. 11927 - 11933. Retrieved 2021/08/20.