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775-16-6

775-16-6 Structure

775-16-6 Structure
IdentificationMore
[Name]

1-Benzyl-3-pyrrolidinone
[CAS]

775-16-6
[Synonyms]

1-BENZYL-3-PYRROLIDINONE
1-BENZYL-3-PYRROLIDONE
1-BENZYLPYRROLIDIN-3-ONE
1-(PHENYLMETHYL)-3-PYRROLIDINONE
N-BENZYL-3-PYRROLIDONE
N-BeNzyl-3-pyrrolidiNoNe
5 N-Benzyl-3-Pyrrolidone
1-BENZLY-3-PYRROLIDONE
1-Benzylpyrrolidinone
N-BENZYL-3-PYRROLIDINONE (30%)
N-BENZYL-3-PYRROLIDINONE 30%
1-Benzyl-pyrrolidin-3-oneHCl
1-(Phenylmethyl)pyrrolidin-3-one
3-Pyrrolidinone, 1-(phenylmethyl)-
1-Benzyl-3-pyrrolizinone
1-Benzylpyrrolizin-3-one
1-Phenylmethyl-3-pyrrolizinone
[EINECS(EC#)]

212-274-0
[Molecular Formula]

C11H13NO
[MDL Number]

MFCD00005342
[Molecular Weight]

175.23
[MOL File]

775-16-6.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow liquid
[Boiling point ]

77 °C/0.01 mmHg (lit.)
[density ]

1.091 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.539(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[form ]

Crystalline Powder, Crystals or Chunks
[pka]

5.56±0.20(Predicted)
[color ]

White to off-white
[BRN ]

1526217
[CAS DataBase Reference]

775-16-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[F ]

10
[HazardClass ]

IRRITANT, KEEP COLD
[HS Code ]

29339900
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-(Phenylmethyl)-3-pyrrolidinone(775-16-6).msds
Hazard InformationBack Directory
[Chemical Properties]

clear yellow liquid
[Uses]

1-Benzyl-3-pyrrolidinone is a substrate used to prepare chiral, alkenyl sulfoximines leading to highly functionalized diazabicycles.
[Uses]

Substrate used to prepare chiral, alkenyl sulfoximines leading to highly functionalized diazabicycles.1
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

1-Benzyl-3-pyrrolidinone(775-16-6)1HNMR
1-Benzyl-3-pyrrolidinone(775-16-6)Raman
1-Benzyl-3-pyrrolidinone(775-16-6)IR
1-Benzyl-3-pyrrolidinone(775-16-6)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-(Phenylmethyl)-3-pyrrolidinone, 98%(775-16-6)
[Alfa Aesar]

1-Benzyl-3-pyrrolidinone, 98%(775-16-6)
[Sigma Aldrich]

775-16-6(sigmaaldrich)
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