1-BENZYLPYRROLE Property

Melting point:

15 °C

Boiling point:

90 °C0.9 mm Hg(lit.)

Density 

1.03

refractive index 

n20/D 1.5685(lit.)

Flash point:

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

Hazard Codes 

Xi

Risk Statements 

10-36/37/38

Safety Statements 

26-36

RIDADR 

UN 1993 3/PG 3

WGK Germany 

3

TSCA 

Yes

HazardClass 

3

PackingGroup 

III

HS Code 

2933998090

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H226Flammable liquid and vapour

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P370+P378In case of fire: Use … for extinction.

P403+P235Store in a well-ventilated place. Keep cool.

P405Store locked up.

P501Dispose of contents/container to..…

1-BENZYLPYRROLE Chemical Properties,Usage,Production

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.