185175
1-Benzyl-3-pyrrolidinone
98%
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About This Item
Empirical Formula (Hill Notation):
C11H13NO
CAS Number:
Molecular Weight:
175.23
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
212-274-0
Beilstein/REAXYS Number:
1526217
MDL number:
Assay:
98%
InChI key
DHGMDHQNUNRMIN-UHFFFAOYSA-N
InChI
1S/C11H13NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2
SMILES string
O=C1CCN(C1)Cc2ccccc2
assay
98%
bp
77 °C/0.01 mmHg (lit.)
density
1.091 g/mL at 25 °C (lit.)
functional group
ketone, phenyl
storage temp.
2-8°C
General description
The equilibrium constant for the ketoreductase-catalyzed reduction reaction of 1-benzyl-3-pyrrolidinone has been measured in n-hexane. 1-Benzyl-3-pyrrolidinone on enzymatic asymmetric reduction yields enantiopure 1-benzyl-3-hydroxypyrrolidine, well known intermediate for various drugs.
Application
1-Benzyl-3-pyrrolidinone was used as starting reagent in the synthesis of vinyl triflate. It was used to prepare chiral, alkenyl sulfoximines leading to highly functionalized diazabicycles.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
230.0 °F - closed cup
flash_point_c
110 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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Synthesis, 2224-2224 (2006)
Facile synthesis of 3-arylpyrroles by tandem Suzuki-dehydrogenation reaction.
Lee C-W and Chung YJ.
Tetrahedron Letters, 41(18), 3423-3425 (2000)
A thermodynamic study of ketoreductase-catalyzed reactions 5. Reduction of substituted ketones in n-hexane.
Tewari YB, et al.
The Journal of Chemical Thermodynamics, 40(4), 661-670 (2008)
Practical synthetic process for enantiopure 1-benzyl-3-hydroxypyrrolidine.
Morimoto M and Sakai K.
Tetrahedron Asymmetry, 19(12), 1465-1469 (2008)
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