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10282-30-1

10282-30-1 Structure

10282-30-1 Structure
IdentificationBack Directory
[Name]

4-(1-PYRROLIDINYL)BENZONITRILE
[CAS]

10282-30-1
[Synonyms]

4-Pyrrolidiobenzonitrile
4-Pyrrolidinobenzonitrile
1-(4-Cyanophenyl)pyrrolidine
4-PYRROLIDIN-1-YL-BENZONITRILE
4-(1-PYRROLIDINYL)BENZONITRILE
Benzonitrile, 4-(1-pyrrolidinyl)-
4-(1-Pyrrolidinyl)benzonitrile,98%
1-(Pyrrolidin-1-yl)-4-cyanobenzene
JR-8864, 4-(Pyrrolidin-1-yl)benzonitrile, 97%
[Molecular Formula]

C11H12N2
[MDL Number]

MFCD07368512
[MOL File]

10282-30-1.mol
[Molecular Weight]

172.23
Chemical PropertiesBack Directory
[Melting point ]

200 °C
[Boiling point ]

117 °C
[density ]

1.12±0.1 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[solubility ]

soluble in Methanol
[form ]

Solid
[pka]

5.68±0.20(Predicted)
[color ]

Off-white
[λmax]

296nm(CH3CN)(lit.)
[InChI]

InChI=1S/C11H12N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h3-6H,1-2,7-8H2
[InChIKey]

ZNMSYUCZLWETII-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC=C(N2CCCC2)C=C1
Questions And AnswerBack Directory
[Uses]

4-(Pyrrolidin-1-yl)benzonitrile is a useful research chemical.
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[RIDADR ]

UN 3439 6.1/PG III
[WGK Germany ]

WGK 3
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2933998090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

4-(1-PYRROLIDINYL)BENZONITRILE(10282-30-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

Pyrrolidine

123-75-1

4-Chlorobenzonitrile

623-03-0

4-(1-PYRROLIDINYL)BENZONITRILE

10282-30-1

In a 10 mL conical flask, p-chlorobenzonitrile (1 mmol), tetrahydropyrrole (3 mmol), K2CO3 (2 mmol), and Pd-PFMN catalyst (0.06 g, 1.2 mol%) were added, and the mixture was stirred for 24 hours at room temperature. Upon completion of the reaction, the mixture was cooled to room temperature and the catalyst was removed by magnetic separation. The catalyst was subsequently washed with ether (2 × 10 mL) and deionized oxygen-free water (2 × 10 mL) and dried for next use. The aqueous phase was extracted with ether (2 × 10 mL), and the organic phases were combined and dried with Na2SO4. Finally, 4-(1-pyrrolidine)benzonitrile was purified by column chromatography (eluent: hexane/ethyl acetate).

[References]

[1] Journal of the Iranian Chemical Society, 2015, vol. 12, # 11, p. 2057 - 2064
[2] Journal of Organometallic Chemistry, 2017, vol. 831, p. 1 - 10
[3] Journal of the American Chemical Society, 2015, vol. 137, # 37, p. 11942 - 11945
[4] Tetrahedron Letters, 2003, vol. 44, # 10, p. 2217 - 2220
[5] Tetrahedron, 2008, vol. 64, # 23, p. 5604 - 5619
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