1H-Pyrrole, 2,5-dihydro-3-methyl-1-[(4-methylphenyl)sulfonyl]-

Base Information

• Chemical Name: 1H-Pyrrole, 2,5-dihydro-3-methyl-1-[(4-methylphenyl)sulfonyl]-
• CAS No.: 160750-61-8
• Molecular Formula: C12H15NO2S
• Molecular Weight: 237.323
• DSSTox Substance ID: DTXSID00465837
• Nikkaji Number: J1.935.122J
• Wikidata: Q82292092
• Mol file: 160750-61-8.mol

Synonyms:160750-61-8;1H-Pyrrole, 2,5-dihydro-3-methyl-1-[(4-methylphenyl)sulfonyl]-;3-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole;SCHEMBL611622;3-Methyl-N-Tosyl-3-Pyrroline;DTXSID00465837

Chemical Property of 1H-Pyrrole, 2,5-dihydro-3-methyl-1-[(4-methylphenyl)sulfonyl]-

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 237.08234989
• Heavy Atom Count: 16
• Complexity: 372

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C

Technology Process of 1H-Pyrrole, 2,5-dihydro-3-methyl-1-[(4-methylphenyl)sulfonyl]-

There total 23 articles about 1H-Pyrrole, 2,5-dihydro-3-methyl-1-[(4-methylphenyl)sulfonyl]- 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: 100.0%

N-allyl-4-methyl-N-(2-methylallyl)benzenesulfonamide (594858-64-7) → 3-methyl-1-[(4-methylphenyl)-sulfonyl]-2,5-dihydro-1H-pyrrole (160750-61-8)

Guidance literature:

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; In dichloromethane; at 25 ℃; for 5h;

DOI:10.1002/chem.200700256

Reference yield: 99.0%

2-methyl-N-(p-toluenesulfonyl)-2-vinylaziridine → 3-methyl-1-[(4-methylphenyl)-sulfonyl]-2,5-dihydro-1H-pyrrole (160750-61-8)

Guidance literature:

copper(II) hexafluoro-2,4-pentanedionate; In toluene; at 60 ℃; for 3h; Product distribution / selectivity;

Reference yield: 99.0%

2-(prop-1-en-2-yl)-1-tosylaziridine → 3-methyl-1-[(4-methylphenyl)-sulfonyl]-2,5-dihydro-1H-pyrrole (160750-61-8)

Guidance literature:

copper(II) hexafluoro-2,4-pentanedionate; In toluene; at 80 ℃; for 2h; Product distribution / selectivity;

upstream raw materials:

N-allyl-4-methyl-N-(2-methylallyl)benzenesulfonamide

acetic acid 1-(toluene-4-sulfonyl)-2,5-dihydro-1H-pyrrol-3-ylmethyl ester

N-allyl-N-methallyltosylamide

Acetic acid 2-{[allyl-(toluene-4-sulfonyl)-amino]-methyl}-allyl ester

Downstream raw materials:

1-(3-methyl-2,5-dihydro-1H-pyrrol-1-yl)-2,2-diphenylethanone

3-methyl-1-(4-methylbenzenesulphonyl)-1H-pyrrole

3-methyl-1-tosylpyrrolidine

1-(3-methylpyrrolidin-1-yl)-2,2-diphenylethanone