(3Z)-3-[(3,5-Dimethyl-4-carboxy-1H-pyrrol-2-yl)methylidene]-5-fluoro-1,3-dihydro-2H-indol-2-one

Basic Information

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CAS Number

356068-93-4

Molecular Formula

C16H13FN2O3

Molecular Weight

300.29 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

588.4°C at 760 mmHg

Density

1.454

Flash Point

309.683 ºC

Refractive Index

1.69

SMILES

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CC1=C(NC(=C1C(=O)O)C)C=C2C3=C(C=CC(=C3)F)NC2=O

InChI

InChI=1S/C16H13FN2O3/c1-7-13(18-8(2)14(7)16(21)22)6-11-10-5-9(17)3-4-12(10)19-15(11)20/h3-6,18H,1-2H3,(H,19,20)(H,21,22)/b11-6-

InChIKey

RBHBOUYXUXWCNJ-WDZFZDKYSA-N

LogP

2.961540000000001

Topological Polar Surface Area

82.19 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

522

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
356068-93-4
1H-Pyrrole-3-carboxylic acid, 5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-
BCP14185
5-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
C16H13FN2O3
UNII-3TA57TDQ6K
5-((5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
CHEMBL1778707
AC-8504
BDBM50344216
(Z)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
5-((Z)-(5-fluoro-2-oxoindolin-3-ylidene)methyl)-2 pound not4-dimethyl-1H-pyrrole-3-carboxylicacid
452105-33-8
5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
CS-M1922
Q-101344
5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2, 4-dimethyl-1H-pyrrole-3-carboxylic acid
5-(5-Fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
A6218
(3Z)-3-(3,5-Dimethyl-4-carboxy-1H-pyrrol-2-ylmethylidene)-5-fluoro-1,3-dihydro-2H-indol-2-one
3TA57TDQ6K
DS-4993
5-[(Z)-(5-Fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic Acid; (3Z)-3-[(3,5-Dimethyl-4-carboxy-1H-pyrrol-2-yl)methylidene]-5-fluoro-1,3-dihydro-2H-indol-2-one; 5-(5-Fluoro-2-oxo-1,2-dihydroindol-(3Z)-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
5-(5-fluoro-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
(3Z)-3-((3,5-Dimethyl-4-carboxy-1H-pyrrol-2-yl)methylidene)-5-fluoro-1,3-dihydro-2H-indol-2-one
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic Acid
1H-Pyrrole-3-carboxylic acid, 5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-
5-((Z)-(5-Fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylicacid
AKOS015888620

MDL Number

MFCD11521323

Customs Code

2933990090

FAQ

What are the physical and chemical properties of (3Z)-3-[(3,5-Dimethyl-4-carboxy-1H-pyrrol-2-yl)methylidene]-5-fluoro-1,3-dihydro-2H-indol-2-one (CAS: 356068-93-4)?

This compound is a white or off-white crystalline solid at room temperature. Its molecular weight is approximately 363.34 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. It is highly reactive towards nucleophiles and exhibits good stability in acidic conditions. The compound is not flammable but may decompose at high temperatures, releasing toxic fumes.

How is (3Z)-3-[(3,5-Dimethyl-4-carboxy-1H-pyrrol-2-yl)methylidene]-5-fluoro-1,3-dihydro-2H-indol-2-one (CAS: 356068-93-4) typically synthesized?

This compound can be synthesized by condensation reactions involving a pyrrole derivative and an indole derivative. The synthesis typically uses a metal catalyst such as copper or palladium. The reaction proceeds with good regioselectivity and yields up to 90%. The reaction conditions should be controlled to avoid side reactions and ensure high purity of the product.

What industries use (3Z)-3-[(3,5-Dimethyl-4-carboxy-1H-pyrrol-2-yl)methylidene]-5-fluoro-1,3-dihydro-2H-indol-2-one (CAS: 356068-93-4)?

This compound is primarily used in the pharmaceutical industry for the development of novel drugs. It also finds applications in polymer synthesis for developing new materials. Additionally, it is used in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling (3Z)-3-[(3,5-Dimethyl-4-carboxy-1H-pyrrol-2-yl)methylidene]-5-fluoro-1,3-dihydro-2H-indol-2-one (CAS: 356068-93-4)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to avoid inhalation of fumes. Spills should be handled using absorbent materials, and the area should be thoroughly cleaned with water. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.