Cas no 86688-88-2 (1-1-(Phenylsulfonyl)-1H-pyrrol-2-ylethan-1-one)

1-1-(Phenylsulfonyl)-1H-pyrrol-2-ylethan-1-one structure
86688-88-2 structure
Product Name:1-1-(Phenylsulfonyl)-1H-pyrrol-2-ylethan-1-one
CAS No:86688-88-2
MF:C12H11NO3S
MW:249.285641908646
CID:719962
Update Time:2026-04-29

1-1-(Phenylsulfonyl)-1H-pyrrol-2-ylethan-1-one Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1-[1-(phenylsulfonyl)-1H-pyrrol-2-yl]-
    • 1-[1-(benzenesulfonyl)pyrrol-2-yl]ethanone
    • 1-[1-(PHENYLSULPHONYL)-1H-PYRROL-2-YL]ETHAN-1-ONE
    • 2-Acetyl-1-(phenylsulfonyl)pyrrole
    • 1-(Phenylsulfonyl)-2-acetylpyrrole
    • 1-[1-(phenylsulfonyl)-1H-pyrrol-2-yl]-1-ethanone
    • 1-[1-(Phenylsulfonyl)-1H-pyrrol-2-yl]ethan-1-one
    • 1-[1-(phenylsulfonyl)-1H-pyrrol-2-yl]ethanone
    • 1-[1-(phenylsulfonyl)pyrrol-2-yl]-1-ethanone
    • 1-1-(Phenylsulfonyl)-1H-pyrrol-2-ylethan-1-one
    • Inchi： InChI=1S/C12H11NO3S/c1-10(14)12-8-5-9-13(12)17(15,16)11-6-3-2-4-7-11/h2-9H,1H3
    • InChI Key： HJDMXZKPGSYRAE-UHFFFAOYSA-N
    • SMILES： CC(=O)C1=CC=CN1S(=O)(=O)C2=CC=CC=C2

Computed Properties

  • Exact Mass: 249.04600
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 379
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 1.9

Experimental Properties

  • Color/Form: Not determined
  • Melting Point: 95-96?°C(lit.)
  • PSA: 64.52000
  • LogP: 3.00850
  • Solubility: Not determined

1-1-(Phenylsulfonyl)-1H-pyrrol-2-ylethan-1-one Security Information

  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26; S36
  • Hazardous Material Identification： Xi
  • Risk Phrases：R36/37/38

1-1-(Phenylsulfonyl)-1H-pyrrol-2-ylethan-1-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B481653-50mg
1-[1-(Phenylsulfonyl)-1H-pyrrol-2-yl]ethan-1-one
 86688-88-2
50mg
 $ 50.00 2022-06-07
TRC
B481653-100mg
1-[1-(Phenylsulfonyl)-1H-pyrrol-2-yl]ethan-1-one
 86688-88-2
100mg
 $ 70.00 2022-06-07
TRC
B481653-500mg
1-[1-(Phenylsulfonyl)-1H-pyrrol-2-yl]ethan-1-one
 86688-88-2
500mg
 $ 275.00 2022-06-07
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1618760-100mg
1-(1-(Phenylsulfonyl)-1H-pyrrol-2-yl)ethan-1-one
 86688-88-2 98%
100mg
 ￥1503.00 2024-04-27
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1618760-250mg
1-(1-(Phenylsulfonyl)-1H-pyrrol-2-yl)ethan-1-one
 86688-88-2 98%
250mg
 ￥2684.00 2024-04-27
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1618760-1g
1-(1-(Phenylsulfonyl)-1H-pyrrol-2-yl)ethan-1-one
 86688-88-2 98%
1g
 ￥4886.00 2024-04-27

1-1-(Phenylsulfonyl)-1H-pyrrol-2-ylethan-1-one Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Methanesulfonic acid, 1,1,1-trifluoro-, gallium salt (3:1) Solvents: Nitromethane
Reference
Catalytic Friedel-Crafts acylation of heteroaromatics
Komoto, Ichiro; et al, Topics in Catalysis, 2002, 19(1), 43-47

Production Method 2

Reaction Conditions
1.1 Catalysts: Methanesulfonic acid, 1,1,1-trifluoro-, gallium salt (3:1) Solvents: Nitromethane ;  10 min, rt
Reference
Gallium(III) trifluoromethanesulfonate (gallium triflate)
Prakash, G. K. Surya; et al, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2009, 1, 1-4

Production Method 3

Reaction Conditions
1.1 Catalysts: Methanesulfonic acid, 1,1,1-trifluoro-, gallium salt (3:1) Solvents: Nitromethane
Reference
Catalytic Friedel-Crafts acylation of heteroaromatics
Komoto, Ichiro; et al, Topics in Catalysis, 2002, 19(1), 43-47

Production Method 4

Reaction Conditions
1.1 Catalysts: Trifluoroacetic acid ;  1.5 h, rt
Reference
Hydrogen bond donor solvents enabled metal and halogen-free Friedel-Crafts acylations with virtually no waste stream
Liu, Guangchang; et al, Tetrahedron Letters, 2018, 59(10), 869-872

1-1-(Phenylsulfonyl)-1H-pyrrol-2-ylethan-1-one Raw materials

1-1-(Phenylsulfonyl)-1H-pyrrol-2-ylethan-1-one Preparation Products

1-1-(Phenylsulfonyl)-1H-pyrrol-2-ylethan-1-one Related Literature

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