4-tert-Butylpyridine

Base Information

• Chemical Name: 4-tert-Butylpyridine
• CAS No.: 3978-81-2
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• Hs Code.: 29333990
• European Community (EC) Number: 223-614-2
• NSC Number: 5104
• UNII: IL8V02163I
• DSSTox Substance ID: DTXSID20192855
• Nikkaji Number: J124.330F
• Wikidata: Q10846092
• Mol file: 3978-81-2.mol

Synonyms:4-tert-butylpyridine

Chemical Property of 4-tert-Butylpyridine

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 0.542mmHg at 25°C
• Melting Point: -40°C(lit.)
• Refractive Index: n20/D 1.495(lit.)
• Boiling Point: 197.1 °C at 760 mmHg
• PKA: pK1: 5.99(+1) (25°C)
• Flash Point: 63.3 °C
• PSA: 12.89000
• Density: 0.905 g/cm³
• LogP: 2.37910
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Practically insoluble in water
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 95.8

Purity/Quality:

98% ^*data from raw suppliers

4-tert-Butylpyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyridines
• Canonical SMILES: CC(C)(C)C1=CC=NC=C1
• Description: Together with our ultra pure?LiTFSi and sublimed?Spiro-MeOTAD, also with higher purity over 98.0%,?4-tert-Butylpyridine is an ideal condidate for your perovskite solar cells research.
• Uses: 4-tert-Butylpyridine was used in composition of electrolyte for dye-sensitized solar cell. 4-tert-Butylpyridine is specific additive of redox electrolyte in dye sensitized solar cells and dye-sensitized TiO2 solar cells. 4-tert-Butylpyridine was used in composition of electrolyte for dye-sensitized solar cell.

Technology Process of 4-tert-Butylpyridine

There total 33 articles about 4-tert-Butylpyridine 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: 99.0%

4-tert-butylpyridine N-oxide (23569-17-7) → 4-tert-butylpyridine (3978-81-2)

Guidance literature:

With titanium tetrachloride; tin(ll) chloride; In benzene; for 0.5h; Ambient temperature;

Reference yield: 91.0%

1-chloro-2-methyl-2-(4-pyridyl)propane (34995-29-4) → 4-tert-butylpyridine (3978-81-2)

Guidance literature:

With lithium; In tetrahydrofuran; a) 0 deg C, 90 min, b) 25 deg C, 4 h;

DOI:10.1021/jo00229a001

Reference yield: 85.0%

tert.-butyl lithium (594-19-4) + 4-pyridineboronic acid pinacol ester (181219-01-2) → 4-tert-butylpyridine (3978-81-2)

Guidance literature:

tert.-butyl lithium; 4-pyridineboronic acid pinacol ester; In tetrahydrofuran; at -78 - 20 ℃; for 0.833333h; Inert atmosphere;

With trifluoroacetyl chloride; In tetrahydrofuran; at -78 - 40 ℃; for 15.5h; Further stages; Inert atmosphere;

DOI:10.1002/anie.201510027

upstream raw materials:

4-s-propylpyridine

methylene chloride

pyridine

tert-butylmercury chloride

Downstream raw materials:

4-tert-butylpyridine N-oxide

4-tert-Butyl-2-trimethylsilanyl-pyridine

Acetic acid 7-tert-butyl-2,3-diphenyl-indolizin-1-yl ester

Acetic acid 7-tert-butyl-1,2-diphenyl-indolizin-3-yl ester

Refernces

• 1、 Lecroq, William,Schleinitz, Jules,Billoue, Mallaury,Perfetto, Anna,Gaumont, Annie-Claude,Lalevée, Jacques,Ciofini, Ilaria,Grimaud, Laurence,Lakhdar, Sami. "Metal-Free Deoxygenation of Amine N-Oxides: Synthetic and Mechanistic Studies". . p. 1237 - 1242. Retrieved 2021/06/01.
• 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.