2-(4-Tert-butylphenyl)pyrrolidine

Base Information

• Chemical Name: 2-(4-Tert-butylphenyl)pyrrolidine
• CAS No.: 383127-16-0
• Molecular Formula: C₁₄H₂₁N
• Molecular Weight: 203.327
• European Community (EC) Number: 857-606-0
• Mol file: 383127-16-0.mol

Synonyms:2-(4-tert-butylphenyl)pyrrolidine;383127-16-0;2-(4-(tert-Butyl)phenyl)pyrrolidine;MFCD02663422;2-[4-(tert-Butyl)phenyl]pyrrolidine;(S)-2-(4-TERT-BUTYLPHENYL)PYRROLIDINE;Oprea1_174659;SCHEMBL5512275;2-(4-tert-Butyl-phenyl)-pyrrolidine;AKOS000162991;AKOS016343522;BS-32368;SY174541;BB 0249489;CS-0206438;EN300-44089;N12480;Z281773794

Chemical Property of 2-(4-Tert-butylphenyl)pyrrolidine

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 203.167399674
• Heavy Atom Count: 15
• Complexity: 196

Purity/Quality:

97% ^*data from raw suppliers

2-(4-tert-butylphenyl)pyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C2CCCN2

Technology Process of 2-(4-Tert-butylphenyl)pyrrolidine

There total 2 articles about 2-(4-Tert-butylphenyl)pyrrolidine 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:

tert-butyl (4-(4-(tert-butyl)phenyl)-4-oxobutyl)carbamate → (–)-2-(4-(tert-butyl)phenyl)pyrrolidine (1228547-77-0,383127-16-0) + (+)-2-(4-(tert-butyl)phenyl)pyrrolidine (1228547-77-0,383127-16-0)

Guidance literature:

tert-butyl (4-(4-(tert-butyl)phenyl)-4-oxobutyl)carbamate; With trifluoroacetic acid; In dichloromethane; for 3h; Inert atmosphere; Schlenk technique;

With 1,4-diaza-bicyclo[2.2.2]octane; titanium(IV) isopropylate; bis(1,5-cyclooctadiene)diiridium(I) dichloride; (2R)-1-[(1R)-1-[bis(1,1-dimethylethyl)phosphino]ethyl]-2-[bis[4-(trifluoromethyl)phenyl]phosphino]ferrocene; hydrogen; potassium iodide; In tetrahydrofuran; toluene; at 50 ℃; for 13h; under 38002.6 Torr; Overall yield = 98 percent; Overall yield = 39.8 mg; enantioselective reaction; Autoclave;

DOI:10.1055/s-0037-1611533

Reference yield:

tert-butyl (4-(4-(tert-butyl)phenyl)-4-oxobutyl)carbamate → (–)-2-(4-(tert-butyl)phenyl)pyrrolidine (1228547-77-0,383127-16-0) + (+)-2-(4-(tert-butyl)phenyl)pyrrolidine (1228547-77-0,383127-16-0)

Guidance literature:

tert-butyl (4-(4-(tert-butyl)phenyl)-4-oxobutyl)carbamate; With trifluoroacetic acid; In dichloromethane; for 3h; Inert atmosphere; Schlenk technique;

With 1,4-diaza-bicyclo[2.2.2]octane; titanium(IV) isopropylate; bis(1,5-cyclooctadiene)diiridium(I) dichloride; (2R)-1-[(1R)-1-[bis(1,1-dimethylethyl)phosphino]ethyl]-2-[bis[4-(trifluoromethyl)phenyl]phosphino]ferrocene; hydrogen; potassium iodide; In tetrahydrofuran; toluene; at 50 ℃; for 13h; under 38002.6 Torr; Overall yield = 98 percent; Overall yield = 39.8 mg; enantioselective reaction; Autoclave;

DOI:10.1055/s-0037-1611533

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