1H-Pyrrole, 2,4-diacetyl-1-[(4-methylphenyl)sulfonyl]-

Base Information

• Chemical Name: 1H-Pyrrole, 2,4-diacetyl-1-[(4-methylphenyl)sulfonyl]-
• CAS No.: 850913-19-8
• Molecular Formula: C15H15NO4S
• Molecular Weight: 305.354
• DSSTox Substance ID: DTXSID30479720
• Nikkaji Number: J2.202.344F
• Wikidata: Q82313890

Synonyms:850913-19-8;1H-Pyrrole, 2,4-diacetyl-1-[(4-methylphenyl)sulfonyl]-;DTXSID30479720

Chemical Property of 1H-Pyrrole, 2,4-diacetyl-1-[(4-methylphenyl)sulfonyl]-

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 305.07217913
• Heavy Atom Count: 21
• Complexity: 514

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C(=O)C)C(=O)C

Technology Process of 1H-Pyrrole, 2,4-diacetyl-1-[(4-methylphenyl)sulfonyl]-

There total 1 articles about 1H-Pyrrole, 2,4-diacetyl-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: 93.0%

1,1'-(1H-pyrrole-2,4-diyl)bis(ethan-1-one) (63547-61-5) + p-toluenesulfonyl chloride (98-59-9) → 1-[5-acetyl-1-(toluene-4-sulfonyl)-1H-pyrrol-3-yl]-ethan-1-one (850913-19-8)

Guidance literature:

With dmap; N-ethyl-N,N-diisopropylamine; at 20 ℃; for 1h;

DOI:10.1016/j.tet.2005.06.016

Reference yield: 48.0%

1-[5-acetyl-1-(toluene-4-sulfonyl)-1H-pyrrol-3-yl]-ethan-1-one (850913-19-8) + 2,3-dimethyl-buta-1,3-diene (513-81-5) → 1-[2-acetyl-5,6-dimethyl-1-(toluene-4-sulfonyl)-1,4,7,7a-tetrahydroindol-3a-yl]ethanone

Guidance literature:

With zinc(II) chloride; In dichloromethane; at 50 ℃; for 72h; under 9000720 Torr;

DOI:10.1016/j.tet.2005.06.016

Reference yield: 16.0%

1-[5-acetyl-1-(toluene-4-sulfonyl)-1H-pyrrol-3-yl]-ethan-1-one (850913-19-8) + danishefsky's diene (54125-02-9) → 2-[4-acetyl-1-(toluene-4-sulfonyl)-1H-pyrrol-2-yl]-2-methyl-2,3-dihydro-pyran-4-one

Guidance literature:

With Eu(fod)3; In dichloromethane; at 50 ℃; for 72h; under 9000720 Torr;

DOI:10.1016/j.tet.2005.06.016

upstream raw materials:

1,1'-(1H-pyrrole-2,4-diyl)bis(ethan-1-one)

p-toluenesulfonyl chloride

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