1032903-50-6

Basic information

• Product Name: 1-Chloro-5-isopropoxy-2-methyl-4-nitrobenzene
• Synonyms: 1-Chloro-5-isopropoxy-2-methyl-4-nitrobenzene;2-Chloro-4-isopropoxy-5-nitrotoluene;4-Chloro-5-methyl-2-[(prop-2-y)loxy]nitrobenzene, 5-Chloro-4-methyl-2-nitrophenyl prop-2-yl ether;1-Chloro-2-methyl-4-nitro-5-(propan-2-yloxy)benzene;4-CHLORO-2-ISOPROPOXY-5-METHYL-NITROBENZ;EOS-60654
• CAS NO: 1032903-50-6
• Molecular Formula: C₁₀H₁₂ClNO₃
• Molecular Weight: 229.66018
• Mol File: 1032903-50-6.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 333.1 °C at 760 mmHg
• Flash Point: 155.3 °C
• Appearance: /
• Density: 1.228
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 1-Chloro-5-isopropoxy-2-methyl-4-nitrobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Chloro-5-isopropoxy-2-methyl-4-nitrobenzene(1032903-50-6)
• EPA Substance Registry System: 1-Chloro-5-isopropoxy-2-methyl-4-nitrobenzene(1032903-50-6)

Safety Data

• Hazardous Substances Data: 1032903-50-6(Hazardous Substances Data)

Usage

General Description

1-Chloro-5-isopropoxy-2-methyl-4-nitrobenzene is an organic compound with the chemical formula C10H12ClNO3. It is a nitroaromatic compound that consists of a benzene ring with a chlorine atom, a nitro group, an isopropoxy group, and a methyl group attached to it. This chemical is commonly used in the synthesis of pharmaceuticals, agrochemicals, and dyes. It is also used as a precursor in organic reactions to introduce a nitro group or a chlorine atom into various organic compounds. Additionally, it has been found to exhibit pesticidal activity, making it valuable for agricultural applications. However, it is important to handle this chemical with care as it is toxic and may cause harmful effects when it comes into contact with the skin, eyes, or if it is inhaled.

InChI:InChI=1S/C10H12ClNO3/c1-6(2)15-10-5-8(11)7(3)4-9(10)12(13)14/h4-6H,1-3H3

Upstream product

• 452-73-3 2-chloro-4-fluorotoluene 
• 67-63-0 isopropyl alcohol 
• 112108-73-3 1-chloro-5-fluoro-2-methyl-4-nitrobenzene 

Downstream Products

• 1032903-51-7 2-(5-isopropoxy-2-methyl-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxide cyclopentaborane 
• 1032903-62-0 4-[2-methyl-4-nitro-5-(propan-2-yloxy)phenyl]pyridine 
• 1035230-18-2 1-methyl-5-nitro-4-propoxy-2-vinyl-benzene 
• 1032903-63-1 4-(4-amino-5-isopropoxy-2-methylphenyl)-piperidine-1-carboxylic acid tert-butyl ester 
• 1032903-66-4 2-isopropoxy-5-methyl-4-(1-methyl-piperidin-4-yl)-phenylamine 
• 1445894-93-8 4-(4-amino-5-isopropoxy-2-methylphenyl)piperidin-2-one 
• 1380575-43-8 5-chloro-N²-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N⁴-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine hydrochloride 
• 1445894-96-1 N₂-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N₄-(2-(isopropylsulfonyl)phenyl)-5-methylpyrimidine-2,4-diamine 
• 1445894-97-2 5-chloro-N₄-(2-(cyclobutylsulfonyl)phenyl)-N₂-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)pyrimidine-2,4-diamine 
• 1445895-03-3 5-chloro-N₂-(2-isopropoxy-5-methyl-4-(1-ethylpiperidin-4-yl)phenyl)-N₄-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine 
• 1445895-04-4 5-chloro-N₂-(2-isopropoxy-5-methyl-4-(1-isopropylpiperidin-4-yl)phenyl)-N₄-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine 
• 1445895-08-8 5-chloro-N₂-(4-(1-(2,2-difluoroethyl)piperidin-4-yl)-2-isopropoxy-5-methylphenyl)-N₄-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine 
• 1190399-47-3 1-(4-(4-((5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)-5-isopropoxy-2-methylphenyl)piperidin-1-yl)-2-(dimethylamino)ethanone 
• 1445895-25-9 2-(4-(5-isopropoxy-4-((4-((2-(isopropylsulfonyl)phenyl)amino)-5-methylpyrimidin-2-yl)amino)-2-methylphenyl)piperidin-1-yl)ethanol 

Relevant articles and documents

Novel sulfinyl anilino pyrimidine derivative and application thereof in preparation of antitumor drugs

The invention relates to the field of medicines. A novel sulfinyl anilino pyrimidine derivative is disclosed, and the structural formula of the novel sulfinyl anilino pyrimidine derivative is as shown in the specification. Compared with an existing L858R/T790M inhibitor and EGFR / ALK double-target-target reference substance, the aniline-based pyrimidine derivative containing the sulfoxide group has better antitumor H 1975 activity compared with ALK the prior art BaF3 inhibitor and the EGFR/ALK double ALK-target reference substance. As proved by human liver microsomal experiments, the aniline-based pyrimidine derivatives containing the sulfoxide group in the invention are compared with the existing anisyl-containing anilino pyrimidine derivatives. There is a great increase in stability.

CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF

Disclosed are a condensed-ring pyrimidylamino derivative, a preparation method therefor, and an intermediate, a pharmaceutical composition and applications thereof. The method for preparing the condensed-ring pyrimidylamino derivative comprises: in a solvent, in the presence of a palladium-containing catalyst, allowing a compound represented by formula I-a and a compound represented by formula I-b' to have a coupling reaction, and then preparing a compound represented by formula I by means of a deprotection reaction. Also disclosed applications of the condensed-ring pyrimidylamino derivative in the preparation of drugs for preventing, relieving and/or treating tumors or diseases caused by an anaplastic lymphoma kinase. The condensed-ring pyrimidylamino derivative of the present invention has an obvious restraint effect on the anaplastic lymphoma kinase.

Preparation method of 2-isopropoxy-5-methyl-4-(piperidine-4-yl) aniline dihydrochloride

The invention relates to a preparation method of 2-isopropoxy-5-methyl-4-(piperidine-4-yl) aniline dihydrochloride. The preparation method comprises the following steps: carrying out a nucleophilic substitution reaction, a coupling reaction and a reduction reaction by taking 1-chloro-5-fluoro-2-methyl-4-nitrobenzene as a starting material so as to obtain 1-benzyl-4-(5-isopropoxy-2-methyl-4-nitrophenyl)-1,2,3,6-tetrahydropyridine; carrying out a reduction reaction on the 1-benzyl-4-(5-isopropoxy-2-methyl-4-nitrophenyl)-1,2,3,6-tetrahydropyridine again to obtain the 2-isopropoxy-5-methyl-4-(piperidine-4-yl) aniline dihydrochloride. The method does not use catalysts such as platinum and rhodium, is simple and convenient in reaction technology and high in yield, avoids the high pressure reaction condition of the existing process, improves the safety, and shortens the reaction time, thus being suitable for mass production.