N~1~-[4-(1,1,1,2,3,3,3-Heptafluoro-2-propanyl)-2-methylphenyl]-3-iodo-N~2~-[2-methyl-1-(methylsulfonyl)-2-propanyl]phthalamide

Basic Information

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CAS Number

272451-65-7

Molecular Formula

C23H22F7IN2O4S

Molecular Weight

682.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Melting Point

217.5-220.7 °C

Boiling Point

578.6°C at 760 mmHg

Density

1.615

Flash Point

303.7°C

Refractive Index

1.539

SMILES

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CC1=CC(=CC=C1NC(=O)C1=CC=CC(I)=C1C(=O)NC(C)(C)CS(C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)

InChIKey

ZGNITFSDLCMLGI-UHFFFAOYSA-N

LogP

5.694320000000004

Topological Polar Surface Area

92.34 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

968

Safety Information

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GHS Hazard Pictograms

H400

Hazard Statement

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Synonyms & References

English

3-Iodo-N2-(2-methyl-1-(methylsulfonyl)propan-2-yl)-N1-(2-methyl-4-(perfluoropropan-2-yl)phenyl)phthalamide
Flubendiamide
1,2-Benzenedicarboxamide,N2-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N1-[2-methyl-4-[1,2,...
1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-N-(2-methyl-1-methylsulfonylpropan-2-yl)benzene-1,2-dicarboxamide
3-iodo-N'-(2-mesyl-1,1-dimethylethyl)-N-{4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-o-tolyl}phthalamide
N1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-N2-[1-(methanesulfonyl)-2-methylpropan-2-yl]benzene-1,2-dicarboxamide
N2-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N1-
WAKO061-05031

MDL Number

MFCD09953911

FAQ

What are the physical and chemical properties of N~1~-[4-(1,1,1,2,3,3,3-Heptafluoro-2-propanyl)-2-methylphenyl]-3-iodo-N~2~-[2-methyl-1-(methylsulfonyl)-2-propanyl]phthalamide (CAS: 272451-65-7)?

This compound has a crystalline form with a molecular weight of approximately 769.4 g/mol. It has extremely low solubility in water and organic solvents. The compound shows moderate reactivity towards nucleophiles and shows good stability under acidic and basic conditions. It is sparingly soluble in common organic solvents like DMSO and acetonitrile.

How is N~1~-[4-(1,1,1,2,3,3,3-Heptafluoro-2-propanyl)-2-methylphenyl]-3-iodo-N~2~-[2-methyl-1-(methylsulfonyl)-2-propanyl]phthalamide (CAS: 272451-65-7) typically synthesized?

The compound is synthesized through a multi-step process involving the protection of the phenolic hydroxyl group, followed by iodination, followed by phthalamide coupling. The key steps include the use of iodine and a Lewis acid catalyst to introduce the iodine, and a phthalamide coupling reaction using a suitable coupling reagent and base. The overall yield is moderate, around 50-60%.

What industries use N~1~-[4-(1,1,1,2,3,3,3-Heptafluoro-2-propanyl)-2-methylphenyl]-3-iodo-N~2~-[2-methyl-1-(methylsulfonyl)-2-propanyl]phthalamide (CAS: 272451-65-7)?

This compound is primarily used in the pharmaceutical industry for its potential as a drug candidate. It may also find application in the polymer industry for its unique chemical properties and stability. Its potential for use in sensor applications and as a precursor for other fluorinated compounds makes it an interesting material for researchers in these fields.

What precautions should be taken when handling N~1~-[4-(1,1,1,2,3,3,3-Heptafluoro-2-propanyl)-2-methylphenyl]-3-iodo-N~2~-[2-methyl-1-(methylsulfonyl)-2-propanyl]phthalamide (CAS: 272451-65-7)?

Handling this compound requires strict personal protective equipment (PPE) including gloves, lab coat, and safety goggles. It should be conducted in a fume hood to minimize inhalation exposure. Spills should be carefully cleaned up according to a Safety Data Sheet (SDS) and handled with appropriate absorbent materials. This compound should be stored in a cool, dry place away from direct sunlight and flammable materials. Always refer to the latest SDS for detailed safety instructions.