NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-(benzenesulfonyl)-1H-pyrrole
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IUPAC Traditional name
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1-(benzenesulfonyl)pyrrole
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Synonyms
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1-(phenylsulphonyl)-1H-pyrrole
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1-(phenylsulfonyl)-1H-pyrrole
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1-(Benzenesulfonyl)pyrrole
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1-(Phenylsulfonyl)pyrrole
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1-(Phenylsulfonyl)pyrrole
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1-(苯基磺酰基)吡咯
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CAS Number
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MDL Number
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Beilstein Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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2
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H Donor
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0
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LogD (pH = 5.5)
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1.982504
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LogD (pH = 7.4)
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1.982504
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Log P
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1.982504
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Molar Refractivity
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53.8371 cm3
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Polarizability
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21.751894 Å3
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Polar Surface Area
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39.07 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Useful protected pyrrole derivative which undergoes regioselective electrophilic substitution, e.g. Friedel-Crafts acylation, at the 3-position: Tetrahedron Lett., 22, 4899, 4901 (1981); Synthesis, 353 (1985) (review); J. Org. Chem., 48, 3214 (1983). The phenylsulfonyl group is readily cleaved by alkaline hydrolysis. For acylation followed by reduction as a route to 3-alkylpyrroles, see: J. Org. Chem., 64, 3379 (1999). See also 1-(Triisopropylsilyl)pyrrole, L13152.
- • With a Grignard reagent, e.g. i-PrMgCl, transmetallation occurs at the 2-position, allowing access to 2-substituted derivatives by reaction with electrophiles: Org. Lett., 6, 293 (2004).
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PATENTS
PATENTS
PubChem Patent
Google Patent