ChemicalBook--->CAS DataBase List--->857283-89-7

857283-89-7

857283-89-7 Structure

857283-89-7 Structure
IdentificationBack Directory
[Name]

3-PYRROLIDIN-1-YLBENZALDEHYDE
[CAS]

857283-89-7
[Synonyms]

3-PYRROLIDIN-1-YLBENZALDEHYDE
3-(1-Pyrrolidinyl)Benzaldehyde
Benzaldehyde, 3-(1-pyrrolidinyl)-
3-PYRROLIDIN-1-YLBENZALDEHYDE ISO 9001:2015 REACH
[Molecular Formula]

C11H13NO
[MDL Number]

MFCD07772825
[MOL File]

857283-89-7.mol
[Molecular Weight]

175.23
Chemical PropertiesBack Directory
[Boiling point ]

322.0℃
[density ]

1.125
[Fp ]

129.7℃
[pka]

5.68±0.20(Predicted)
[InChI]

1S/C11H13NO/c13-9-10-4-3-5-11(8-10)12-6-1-2-7-12/h3-5,8-9H,1-2,6-7H2
[InChIKey]

KELYFFMWYRNGTF-UHFFFAOYSA-N
[SMILES]

N2(CCCC2)c1cc(ccc1)C=O
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H311-H331
[Precautionary statements ]

P261-P264-P270-P271-P280-P285-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

22-26-36/37/39
[WGK Germany ]

WGK 3
[HS Code ]

2933998090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Uses]

3-(1-Pyrrolidinyl)benzaldehyde is used as a reactant in the preparation of rhodanine derivatives as protease inhibitors against bacterial toxins.
[Synthesis]

To a stirred solution of 1-(3-(1,3-dioxolan-2-yl)phenyl)pyrrolidine (0.15 g, 0.68 mmol) in THF (5 mL) was added 1N HCl (3 mL) at 0 °C under nitrogen atmosphere. The resulting reaction mixture was warmed to room temperature and stirred for 4 hours. The pro
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