1-Benzyl-3-pyrrolidinone - CAS 775-16-6

Catalog:	BB035968
Product Name:	1-Benzyl-3-pyrrolidinone
CAS:	775-16-6
Synonyms:	1-benzylpyrrolidin-3-one

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-benzylpyrrolidin-3-one
Description:	1-Benzyl-3-pyrrolidinone (CAS# 775-16-6) is a substrate used to prepare chiral, alkenyl sulfoximines leading to highly functionalized diazabicycles.
Molecular Weight:	175.23
Molecular Formula:	C11H13NO
Canonical SMILES:	C1CN(CC1=O)CC2=CC=CC=C2
InChI:	InChI=1S/C11H13NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2
InChI Key:	DHGMDHQNUNRMIN-UHFFFAOYSA-N
Boiling Point:	109 °C (0.1 mmHg)
Purity:	97.0 %
Density:	1.091 g/cm³
Appearance:	Yellow clear liquid
MDL:	MFCD00005342
LogP:	1.39930

Publication Number	Title	Priority Date
CN-112574087-A	Synthetic method of 3-aminopyrrolidine hydrochloride	20201221
JP-2021046434-A	A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them.	20201207
JP-2021054833-A	A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them.	20201207
JP-2021054834-A	A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them.	20201207
CN-111039949-A	Preparation method of piperidine spiro derivative	20191225

PMID	Publication Date	Title	Journal
18086437	20071101	Cloning, sequence analysis, and expression in Escherichia coli of gene encoding N-Benzyl-3-pyrrolidinol dehydrogenase from Geotrichum capitatum	Journal of bioscience and bioengineering
17368401	20070201	Purification and characterization of alcohol dehydrogenase reducing N-benzyl-3-pyrrolidinone from Geotrichum capitatum	Journal of bioscience and bioengineering

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Pyrrolidines

[1427004-19-0]
DBCO-PEG4-NHS ester
[18471-41-5]
3-Amino-1-phenylpyrrolidine
[55727-59-8]
2-(Pyrrolidin-1-ylmethyl)aniline
[1220027-22-4]
4-Methyl-1-(2-Pyrrolidinylmethyl)Piperidine Dihydrochloride
[2006277-06-9]
1-(5-Bromopentyl)pyrrolidine Hydrobromide
[1497778-22-9]
Tert-butyl 3-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.099714038
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.099714038
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3