2-Methyl-1-(4-methylphenyl)sulfonylpyrrolidine

Base Information

• Chemical Name: 2-Methyl-1-(4-methylphenyl)sulfonylpyrrolidine
• CAS No.: 6435-79-6
• Molecular Formula: C₁₂H₁₇NO₂S
• Molecular Weight: 239.338
• DSSTox Substance ID: DTXSID201224229
• Nikkaji Number: J1.771.814B
• Mol file: 6435-79-6.mol

Synonyms:6435-79-6;SCHEMBL12169284;DTXSID201224229;AKOS027641221;Pyrrolidine, 2-methyl-1-[(4-methylphenyl)sulfonyl]-

Chemical Property of 2-Methyl-1-(4-methylphenyl)sulfonylpyrrolidine

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 239.09799996
• Heavy Atom Count: 16
• Complexity: 325

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCCN1S(=O)(=O)C2=CC=C(C=C2)C

Technology Process of 2-Methyl-1-(4-methylphenyl)sulfonylpyrrolidine

There total 29 articles about 2-Methyl-1-(4-methylphenyl)sulfonylpyrrolidine 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: 98.0%

N-tosyl-(4-pentenyl)amine (81097-24-7) → 2-methyl-1-[(4-methylphenyl)sulfonyl]-pyrrolidine (6435-79-6)

Guidance literature:

With 1,1,1,3',3',3'-hexafluoro-propanol; calcium(II) bis(trifluoromethanesulfonyl)imide; tert-butylammonium hexafluorophosphate(V); at 80 ℃; for 1h;

DOI:10.1021/acscatal.7b04271

Reference yield: 96.0%

dimethyl zinc(II) (544-97-8) + C13H16F3NO3S → 2-methyl-1-[(4-methylphenyl)sulfonyl]-pyrrolidine (6435-79-6)

Guidance literature:

With boron trifluoride diethyl etherate; In n-heptane; acetonitrile; at 0 ℃; for 1h; Reagent/catalyst; Solvent; Inert atmosphere;

DOI:10.1021/jacs.1c09412

Reference yield: 95.0%

C12H17NO2S → 2-methyl-1-[(4-methylphenyl)sulfonyl]-pyrrolidine (6435-79-6)

Guidance literature:

With 1,1,1,3',3',3'-hexafluoro-propanol; calcium(II) bis(trifluoromethanesulfonyl)imide; tert-butylammonium hexafluorophosphate(V); at 80 ℃; for 1h;

DOI:10.1021/acscatal.7b04271

upstream raw materials:

N-tosyl-(4-pentenyl)amine

N-(p-methoxyphenyl)-N-[1-methyl-4-[(p-toluenesulfonyl)amino]butyl]-p-toluenesulfonamide

4-pentenyl-1-amine

p-toluenesulfonyl chloride