2,5-Di-tert-butyl-1H-pyrrole

Base Information

• Chemical Name: 2,5-Di-tert-butyl-1H-pyrrole
• CAS No.: 3760-56-3
• Molecular Formula: C₁₂H₂₁N
• Molecular Weight: 179.305
• Hs Code.: 2933990090
• European Community (EC) Number: 636-440-0
• DSSTox Substance ID: DTXSID60508092
• Nikkaji Number: J79.852E
• Wikidata: Q82364796
• Mol file: 3760-56-3.mol

Synonyms:2,5-Di-tert-butyl-1H-pyrrole;3760-56-3;2,5-ditert-butyl-1H-pyrrole;2,5-di-t-butylpyrrole;SCHEMBL1791983;DTXSID60508092;MFCD00233173;AKOS006274967;SB62825;TS-00194;F72162

Chemical Property of 2,5-Di-tert-butyl-1H-pyrrole

Chemical Property:

• PSA: 15.79000
• LogP: 3.60970
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 179.167399674
• Heavy Atom Count: 13
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

2,5-Di-tert-butyl-1H-pyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(N1)C(C)(C)C

Technology Process of 2,5-Di-tert-butyl-1H-pyrrole

There total 2 articles about 2,5-Di-tert-butyl-1H-pyrrole 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%

2,2,7,7-tetramethyloctan-3,6-dione (27610-88-4) → 2,5-di-tert-butyl-1H-pyrrole (3760-56-3)

Guidance literature:

With methanol; magnesium nitride; at 0 - 80 ℃; for 24h;

DOI:10.1055/s-0028-1083504

Reference yield:

→ 2,5-di-tert-butyl-1H-pyrrole (3760-56-3)

Guidance literature:

DOI:10.1039/C1965000453a DOI:10.1016/0040-4020(79)87017-9

Reference yield: 30.0%

4-Cyanochlorobenzene (623-03-0) + 2,5-di-tert-butyl-1H-pyrrole (3760-56-3) → 2,5-Di-tert-butyl-3-(4-cyanophenyl)pyrrole + 2,5-Di-tert-butyl-3,4-bis(4-cyanophenyl)pyrrole

Guidance literature:

With 4,4'-bipyridine; potassium hydroxide; potassium tert-butylate; at -38 ℃; Rate constant; electrochemical reaction: undevided cell filled with liq. NH₃; KBr as supporting electrolyte; reference electrode: Ag/Ag⁽¹⁺⁾; cathode: stainless steel; sacrificial magnesium anode; i = 0.5 A/dm²; other aromatic chlorides;

DOI:10.1021/jo00129a048

upstream raw materials:

2,2,7,7-tetramethyloctan-3,6-dione

Refernces

• 1、 Licciulli, Sebastiano,Albahily, Khalid,Fomitcheva, Valeria,Korobkov, Ilia,Gambarotta, Sandro,Duchateau, Robbert. "A chromium ethylidene complex as a potent catalyst for selective ethylene trimerization". . p. 2346 - 2349. Retrieved 2011.