1-Phenylpyrrolidine-2,4-dione - CAS 114473-81-3

Catalog:	BB003399
Product Name:	1-Phenylpyrrolidine-2,4-dione
CAS:	114473-81-3
Synonyms:	1-phenylpyrrolidine-2,4-dione; 1-phenylpyrrolidine-2,4-dione

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-phenylpyrrolidine-2,4-dione
Description:	1-Phenylpyrrolidine-2,4-dione (CAS# 114473-81-3) is a synthetic intermediate and is obtained from N-Phenylglycine Ethyl Ester and Diethyl Malonate (D444420) which is used in the preparation of barbiturates, artificial flavourings, vitamin B1, and vitamin B6 as well as in perfumes.
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	C1C(=O)CN(C1=O)C2=CC=CC=C2
InChI:	InChI=1S/C10H9NO2/c12-9-6-10(13)11(7-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:	YCWRLBFFWYMHAQ-UHFFFAOYSA-N
LogP:	1.05740

Publication Number	Title	Priority Date
AR-115391-A1	SUBSTITUTED 2-ALKYL-6-ALCOXYPHENYLPYRROLIDINE-2,4-DIONES AND THEIR USE AS HERBICIDES	20180529
AR-106256-A1	3-PHENYLPIRROLIDINA-2,4-DIONAS REPLACED WITH ALQUINILO AND ITS USE AS HERBICIDES	20151006
AU-2016336174-A1	New alkynyl-substituted 3-phenylpyrrolidine-2,4-diones and use thereof as herbicides	20151006
AU-2016336175-A1	New alkynyl-substituted 3-phenylpyrrolidine-2,4-diones and use thereof as herbicides	20151006
CA-3000768-A1	New alkynyl-substituted 3-phenylpyrrolidine-2,4-diones and use thereof as herbicides	20151006

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.063328530
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.063328530
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1