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ChemicalBook--->CAS DataBase List--->2051-97-0

2051-97-0

2051-97-0 Structure

2051-97-0 Structure
IdentificationMore
[Name]

1-BENZYLPYRROLE
[CAS]

2051-97-0
[Synonyms]

1-BENZYLPYRROLE
N-BENZYLPYRROLE
1-(phenylmethyl)-1h-pyrrol
1-Benzyl-1H-pyrrole
Pyrrole, 1-benzyl-
[EINECS(EC#)]

218-137-1
[Molecular Formula]

C11H11N
[MDL Number]

MFCD00963301
[Molecular Weight]

157.21
[MOL File]

2051-97-0.mol
Chemical PropertiesBack Directory
[Melting point ]

15 °C
[Boiling point ]

90 °C0.9 mm Hg(lit.)
[bulk density]

1.020g/mL
[density ]

1.03
[refractive index ]

n20/D 1.5685(lit.)
[Fp ]

115 °F
[form ]

Liquid
[pka]

-2.90±0.70(Predicted)
[color ]

Colorless to brown
[CAS DataBase Reference]

2051-97-0(CAS DataBase Reference)
[EPA Substance Registry System]

1H-Pyrrole, 1-(phenylmethyl)- (2051-97-0)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

2933998090
Hazard InformationBack Directory
[Chemical Properties]

White transparent liquid
[Uses]

N-benzylpyrrole may be used in the synthesis of the following:
  • (E,Z)-3-(7,8-dimethoxy-5H-pyrrolo[2,1-a]isoindol-3-yl)-N,N-diethylacrylamide
  • (E,Z)-7,8-dimethoxy-3-styryl-5H-pyrrolo[2,1-a]isoindole
  • pyrroloisoquinolines
  • (Z)-2-(7,8-dimethoxypyrrolo[1,2-b]isoquinolin-10-ylidene)-N,N-diethylacetamide
  • (E,Z)-10-benzylidene-7,8-dimethoxy-5,10-dihydropyrrolo- [1,2-b]isoquinoline
  • (E,Z)-7,8-dimethoxy-10-(2-methoxyvinyl)-5,10-dihydropyrrolo[1,2-b]isoquinoline
  • (Z)-7,8-dimethoxy-10-(methoxymethylene)-5,10-dihydropyrrolo[1,2-b]isoquinoline
  • 2-cyano-N-benzylpyrroles
  • 3-cyano-N-benzylpyrroles
[Synthesis Reference(s)]

Journal of Heterocyclic Chemistry, 31, p. 1715, 1994 DOI: 10.1002/jhet.5570310674
Synthetic Communications, 25, p. 1857, 1995 DOI: 10.1080/00397919508015431
Synthesis, p. 457, 1996 DOI: 10.1055/s-1996-4247
[General Description]

N-benzylpyrrole can be synthesized from N-benzylpyrrolidine via oxidation with 2-iodoxybenzoic acid(IBX) in presence of β-cyclodextrin in aqueous medium.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

2051-97-0(sigmaaldrich)
[TCI AMERICA]

1-Benzylpyrrole,>96.0%(GC)(2051-97-0)
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