(3Z)-3-(Acetoxyimino)-5-chloro-1-(2,5-dichlorobenzyl)-1,3-dihydro-2H-indol-2-one

Basic Information

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CAS Number

668467-91-2

Molecular Formula

C17H11Cl3N2O3

Molecular Weight

397.65 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Solubility

DMSO: soluble16mg/mL

SMILES

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CC(=O)ON=C1C2=C(C=CC(=C2)Cl)N(C1=O)CC3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C17H11Cl3N2O3/c1-9(23)25-21-16-13-7-12(19)3-5-15(13)22(17(16)24)8-10-6-11(18)2-4-14(10)20/h2-7H,8H2,1H3/b21-16-

InChIKey

OPQRFPHLZZPCCH-PGMHBOJBSA-N

LogP

4.4608000000000025

Topological Polar Surface Area

58.97 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

571

Safety Information

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GHS Hazard Pictograms

H410

Hazard Statement

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Synonyms & References

English

BDBM50514120
SW219408-1
HY-18637
5-Chloro-1-[(2,5-dichlorophenyl)methyl]-1H-indole-2,3-dione 3-(O-acetyloxime)
LDN-57444
UCH-L1
EX-A700
A867384
MFCD09037562
(Z)-3-(acetoxyimino)-5-chloro-1-(2,5-dichlorobenzyl)indolin-2-one
BDBM65518
AC-32696
5-Chloro-1-[(2,5-dichlorophenyl)methyl]-1H-indole-2,3-dione 3-(O-acetyloxime);LDN-57444
LDN57444
CID 16760696
CS-3923
SCHEMBL16249746
LDN-57444, >=98% (HPLC)
668467-91-2
CHEMBL3407553
3-(acetoxyimino)-5-chloro-1-(2,5-dichlorobenzyl)indolin-2-one
AS-56100
NCGC00247668-01
AKOS025295611
[(Z)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate
1H-Indole-2,3-dione, 5-chloro-1-[(2,5-dichlorophenyl)methyl]-,3-(O-acetyloxime)
LDN 57444
1H-Indole-2,3-dione, 5-chloro-1-[(2,5-dichlorophenyl)methyl]-, 3-(O-acetyloxime)
LDN-57444 ( LDN 57444, Compound 30)
3-(O-acetyloxime), 5-chloro-1-[(2,5-dichlorophenyl)methyl]-1H-Indole-2,3-dione
C30

MDL Number

MFCD09037562

FAQ

What are the physical and chemical properties of (3Z)-3-(Acetoxyimino)-5-chloro-1-(2,5-dichlorobenzyl)-1,3-dihydro-2H-indol-2-one (CAS: 668467-91-2)?

The compound (3Z)-3-(Acetoxyimino)-5-chloro-1-(2,5-dichlorobenzyl)-1,3-dihydro-2H-indol-2-one has a crystalline form and a molecular weight of approximately 472.97 g/mol. It is slightly soluble in organic solvents like ethanol and chloroform. Chemically, the compound is known for its reactivity towards nucleophiles and its stability in acidic conditions. It is not reactive towards bases or reducing agents under normal conditions.

How is (3Z)-3-(Acetoxyimino)-5-chloro-1-(2,5-dichlorobenzyl)-1,3-dihydro-2H-indol-2-one (CAS: 668467-91-2) typically synthesized?

The compound is typically synthesized via a multi-step reaction involving acetoxyimino dehydratase, followed by acylation and chlorination. Common catalysts include Lewis acids like aluminum chloride. The yield is generally around 70-80%, and the reaction is carried out under anhydrous conditions to avoid side reactions.

What industries use (3Z)-3-(Acetoxyimino)-5-chloro-1-(2,5-dichlorobenzyl)-1,3-dihydro-2H-indol-2-one (CAS: 668467-91-2)?

This compound is primarily used in pharmaceuticals for its anti-inflammatory and analgesic properties. It is also utilized in the production of certain dyes and pigments due to its chromophoric nature. Additionally, it has potential applications in the development of new sensors and as a precursor in the synthesis of other complex molecules.

What precautions should be taken when handling (3Z)-3-(Acetoxyimino)-5-chloro-1-(2,5-dichlorobenzyl)-1,3-dihydro-2H-indol-2-one (CAS: 668467-91-2)?

When handling (3Z)-3-(Acetoxyimino)-5-chloro-1-(2,5-dichlorobenzyl)-1,3-dihydro-2H-indol-2-one, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up with caution using appropriate absorbents, and the area should be decontaminated. It is also advisable to consult the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.