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Succinimidyl 4-[3,5-Dimethyl-4-(4-nitrobenzyloxy)phenyl]-4-oxobutyrate - >96.0%(HPLC), high purity , CAS No.948995-62-8
Basic Description
Synonyms
MFCD11973890 | succinimidyl4-[3,5-dimethyl-4-(4-nitrobenzyloxy)phenyl]-4-oxobutyrate | 2,5-dioxopyrrolidin-1-yl 4-(3,5-dimethyl-4-((4-nitrobenzyl)oxy)phenyl)-4-oxobutanoate | D92270 | 1-[(4-{3,5-Dimethyl-4-[(4-nitrophenyl)methoxy]phenyl}-4-oxobutanoyl)oxy
Specifications & Purity
≥96%(HPLC)
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Butyrophenones Nitrobenzenes m-Xylenes Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Nitroaromatic compounds Alkyl aryl ethers Pyrrolidine-2-ones Dicarboximides Lactams Monocarboxylic acids and derivatives Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - M-xylene - Xylene - Gamma-keto acid - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Keto acid - Pyrrolidone - 2-pyrrolidone - Benzenoid - Dicarboximide - Pyrrolidine - Lactam - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Azacycle - Monocarboxylic acid or derivatives - Organic oxoazanium - Organoheterocyclic compound - Organic oxide - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
(2,5-dioxopyrrolidin-1-yl) 4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxobutanoate
INCHI
InChI=1S/C23H22N2O8/c1-14-11-17(19(26)7-10-22(29)33-24-20(27)8-9-21(24)28)12-15(2)23(14)32-13-16-3-5-18(6-4-16)25(30)31/h3-6,11-12H,7-10,13H2,1-2H3
InChIKey
CUTCHWUKZOOSRX-UHFFFAOYSA-N
Smiles
CC1=CC(=CC(=C1OCC2=CC=C(C=C2)[N+](=O)[O-])C)C(=O)CCC(=O)ON3C(=O)CCC3=O
Isomeric SMILES
CC1=CC(=CC(=C1OCC2=CC=C(C=C2)[N+](=O)[O-])C)C(=O)CCC(=O)ON3C(=O)CCC3=O
PubChem CID
17751994
Molecular Weight
454.44
Reaxy-Rn
11132191
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture Sensitive,Heat Sensitive
Molecular Weight
454.400 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
9
Exact Mass
454.138 Da
Monoisotopic Mass
454.138 Da
Topological Polar Surface Area
136.000 Ų
Heavy Atom Count
33
Formal Charge
0
Complexity
743.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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