2-(1,3-Benzodioxol-5-yl)-N-{5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydro-1H-indol-5-yl]-1,3-thiazol-2-yl}acetamide

Basic Information

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CAS Number

846557-71-9

Molecular Formula

C29H25N3O4S

Molecular Weight

511.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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Cc1ccccc1C(=O)N2CCc3c2ccc(c3)c4c(sc(n4)NC(=O)Cc5ccc6c(c5)OCO6)C

InChI

InChI=1S/C29H25N3O4S/c1-17-5-3-4-6-22(17)28(34)32-12-11-20-15-21(8-9-23(20)32)27-18(2)37-29(31-27)30-26(33)14-19-7-10-24-25(13-19)36-16-35-24/h3-10,13,15H,11-12,14,16H2,1-2H3,(H,30,31,33)

InChIKey

LINHYWKZVCNAMQ-UHFFFAOYSA-N

LogP

5.539740000000004

Topological Polar Surface Area

80.76 Å²

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

844

Synonyms & References

English

ML385
ML-385
N-[4-[2,3-Dihydro-1-(2-methylbenzoyl)-1H-indol-5-yl]-5-methyl-2-thiazolyl]-1,3-benzodioxole-5-acetamide
SMR000173724
2-(benzo[d][1,3]dioxol-5-yl)-N-(5-methyl-4-(1-(2-methylbenzoyl)indolin-5-yl)thiazol-2-yl)acetamide
2-Benzo[1,3]dioxol-5-yl-N-{5-methyl-4-[1-(2-methyl-benzoyl)-2,3-dihydro-1H-indol-5-yl]-thiazol-2-yl}-acetamide
MLS000559305
MLS003909218
GTPL10154
BCP30638
ML 385
ML 385; ML38
s8790
compound 2 [
2-(1,3-Benzodioxol-5-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]

MDL Number

MFCD06616124

FAQ

What are the physical and chemical properties of 2-(1,3-Benzodioxol-5-yl)-N-{5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydro-1H-indol-5-yl]-1,3-thiazol-2-yl}acetamide (CAS: 846557-71-9)?

The compound has a crystalline form with a molecular weight of approximately 688.85 g/mol. It is slightly soluble in water but more soluble in organic solvents like DMSO and DMF. It exhibits good reactivity towards nucleophiles and electrophiles, making it suitable for various chemical transformations. Its stability under mild conditions suggests potential applications in pharmaceuticals and fine chemicals.

How is 2-(1,3-Benzodioxol-5-yl)-N-{5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydro-1H-indol-5-yl]-1,3-thiazol-2-yl}acetamide (CAS: 846557-71-9) typically synthesized?

This compound is typically synthesized through multi-step organic synthesis involving condensation, alkylation, and coupling reactions. Commonly, transition metal catalysts like palladium or copper are used for cross-coupling reactions. The yield and selectivity are generally good, with purification steps involving column chromatography and recrystallization.

What industries use 2-(1,3-Benzodioxol-5-yl)-N-{5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydro-1H-indol-5-yl]-1,3-thiazol-2-yl}acetamide (CAS: 846557-71-9)?

This compound is primarily used in the pharmaceutical industry for developing new drug candidates. It also has potential applications in the polymer industry for creating novel materials with specific properties. Its unique chemical structure makes it valuable for research in sensors and semiconductors due to its electronic and optical properties.

What precautions should be taken when handling 2-(1,3-Benzodioxol-5-yl)-N-{5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydro-1H-indol-5-yl]-1,3-thiazol-2-yl}acetamide (CAS: 846557-71-9)?

When handling this compound, appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats should be worn. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be handled by professional hazmat personnel, and the Material Safety Data Sheet (MSDS/SDS) should be consulted for detailed emergency procedures. The compound should be stored in a cool, dry place away from direct sunlight and incompatible materials.

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

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Compound Q&A

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2-(1,3-Benzodioxol-5-yl)-N-{5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydro-1H-indol-5-yl]-1,3-thiazol-2-yl}acetamide | CAS No. 846557-71-9

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of 2-(1,3-Benzodioxol-5-yl)-N-{5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydro-1H-indol-5-yl]-1,3-thiazol-2-yl}acetamide (CAS: 846557-71-9)?

How is 2-(1,3-Benzodioxol-5-yl)-N-{5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydro-1H-indol-5-yl]-1,3-thiazol-2-yl}acetamide (CAS: 846557-71-9) typically synthesized?

What industries use 2-(1,3-Benzodioxol-5-yl)-N-{5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydro-1H-indol-5-yl]-1,3-thiazol-2-yl}acetamide (CAS: 846557-71-9)?

What precautions should be taken when handling 2-(1,3-Benzodioxol-5-yl)-N-{5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydro-1H-indol-5-yl]-1,3-thiazol-2-yl}acetamide (CAS: 846557-71-9)?

Related Compounds

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