70415-86-0

Basic information

• Product Name: 1-(isopropylsulfonyl)-2-nitrobenzene
• Synonyms: 1-Nitro-2-(propane-2-sulfonyl)-benzene;Benzene, 1-[(1-methylethyl)sulfonyl]-2-nitro-;Isopropyl 2-nitrophenyl sulfone;1-(Isopropylsulphonyl)-2-Nitrobenzene;1-(isopropylsulfonyl)-2-nitrobenzene
• CAS NO: 70415-86-0
• Molecular Formula: C₉H₁₁NO₄S
• Molecular Weight: 229.25294
• Mol File: 70415-86-0.mol
• Article Data: 18

Chemical Properties

• Melting Point: 59.5 °C
• Boiling Point: 405.4±37.0 °C(Predicted)
• Appearance: /
• Density: 1.299±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 1-(isopropylsulfonyl)-2-nitrobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(isopropylsulfonyl)-2-nitrobenzene(70415-86-0)
• EPA Substance Registry System: 1-(isopropylsulfonyl)-2-nitrobenzene(70415-86-0)

Safety Data

• Hazardous Substances Data: 70415-86-0(Hazardous Substances Data)

Usage

General Description

1-(isopropylsulfonyl)-2-nitrobenzene is a chemical compound with the molecular formula C9H11NO4S. It is a nitrobenzene derivative with a sulfonyl group attached to the benzene ring. This chemical is commonly used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and dyes. It is also utilized in organic synthesis and as a reagent in various chemical reactions. The presence of the nitro and sulfonyl groups makes 1-(isopropylsulfonyl)-2-nitrobenzene a versatile compound in organic chemistry, making it an important building block for the preparation of other complex molecules. Additionally, it is considered to be a potential environmental contaminant and may pose health and environmental risks if not handled properly.

InChI:InChI=1S/C9H11NO4S/c1-7(2)15(13,14)9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3

Upstream product

• 70415-85-9 2-(isopropyl sulfanyl)nitrobenzene 
• 98-95-3 nitrobenzene 
• 88-73-3 2-Chloronitrobenzene 
• 1493-27-2 ortho-nitrofluorobenzene 
• 528-29-0 1,2-Dinitrobenzene 
• 4875-10-9 o-nitrothiophenol 
• 75-26-3 isopropyl bromide 

Relevant articles and documents

CHEMICAL PROCESS FOR PREPARING PYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF

PROBLEM TO BE SOLVED: To provide a process for preparing ceritinib and/or intermediates thereof. SOLUTION: There is provided a process for preparing (C2-1), an intermediate of ceritinib synthesis, comprising the step of reacting (A) with (B) in a solvent in the presence of at least one catalyst, wherein P is a protecting group and T and X1 independently denote Cl and the like. SELECTED DRAWING: None COPYRIGHT: (C)2021,JPOandINPIT

Chemical Process for Preparing Pyrimidine Derivatives and Intermediates Thereof

The present disclosure relates to a method of synthesizing 5-chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-[2-(propane-2-sulfonyl)-phenyl]-pyrimidine-2,4-diamine (ceritinib) and/or intermediates thereof, their use as pharmaceuticals and pharmaceutical compositions and the use of intermediates for preparing ceritinib.

CHEMICAL PROCESS FOR PREPARING PYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF

PROBLEM TO BE SOLVED: To provide a method for producing intermediates for preparing ceritinib. SOLUTION: There is provided a method for preparing (C2-1), comprising reacting (A) with (B) in a solvent in the presence of at least one catalyst, wherein P is a protecting group and T and X1 can be independently C1 and the like. SELECTED DRAWING: None COPYRIGHT: (C)2020,JPOandINPIT