3-(2,5-Dichloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole

Basic Information

View in Editor

CAS Number

882562-40-5

Molecular Formula

C18H11Cl2N3O2S

Molecular Weight

404.28 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

View in Editor

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=NC(=NC=C4Cl)Cl

InChI

InChI=1S/C18H11Cl2N3O2S/c19-15-10-21-18(20)22-17(15)14-11-23(16-9-5-4-8-13(14)16)26(24,25)12-6-2-1-3-7-12/h1-11H

InChIKey

ZSDGZYGEBQECGY-UHFFFAOYSA-N

LogP

4.642100000000003

Topological Polar Surface Area

64.85 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

594

Safety Information

View Safety Information

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

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

Synonyms & References

English

3-(2,5-Dichloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole
1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole
1-(benzenesulfonyl)-3-(2,5-dichloropyriMidin-4-yl)-1H-indole
C18H11Cl2N3O2S
3-(2,5-Dichloro-4-pyrimidinyl)-1-(phenylsulfonyl)-1H-indole
ZSDGZYGEBQECGY-UHFFFAOYSA-N
4073AC
SY113049
AX8237347
ST24041378
3-(
1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)-1H-indole
3-(2,5-Dichloro-4-pyrimidinyl)-1-(phenylsulfonyl)-1H-indole (ACI)
1-(Benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole
CS-D1256
AKOS016007206
882562-40-5
DB-330583
SCHEMBL6039811
MFCD17392847
1-(Benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)-1H-indole
DTXSID20743588
DS-16079
3-(2, 5-dichloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole

MDL Number

MFCD17392847

FAQ

What are the physical and chemical properties of 3-(2,5-Dichloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole (CAS: 882562-40-5)?

The compound 3-(2,5-Dichloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole is a crystalline solid with a high molecular weight. It has a low solubility in water but is more soluble in organic solvents such as DMF and THF. The compound shows moderate reactivity towards nucleophiles and electrophiles. Its physicochemical properties make it suitable for use in the synthesis of pharmaceuticals and sensors.

How is 3-(2,5-Dichloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole (CAS: 882562-40-5) typically synthesized?

3-(2,5-Dichloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole is commonly synthesized through a multi-step reaction involving the condensation of 2,5-dichloropyrimidine with phenylsulfonyl isocyanate, followed by amination. Various catalysts such as triethylamine and catalytic amounts of HOBt can be used to improve the yield and selectivity. This compound is often used as a key intermediate in the development of new pharmaceuticals.

What industries use 3-(2,5-Dichloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole (CAS: 882562-40-5)?

3-(2,5-Dichloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole is primarily used in the pharmaceutical and sensor industries. It serves as a crucial intermediate in the synthesis of novel drugs and is also employed in the development of chemical sensors for detecting various analytes. Its unique chemical properties make it valuable in these applications.

What precautions should be taken when handling 3-(2,5-Dichloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole (CAS: 882562-40-5)?

When handling 3-(2,5-Dichloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole, 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 minimize the inhalation of vapor. In case of a spill, it should be immediately cleaned up with caution, using absorbent material and disposing of it according to safety protocols. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.