112108-73-3

Basic information

• Product Name: 1-CHLORO-5-FLUORO-2-METHYL-4-NITRO-BENZENE
• Synonyms: 1-CHLORO-5-FLUORO-2-METHYL-4-NITRO-BENZENE;2-Chloro-4-fluoro-5-nitrotoluene;Benzene, 1-chloro-5-fluoro-2-Methyl-4-nitro-;4-Chloro-2-fluoro-5-methylnitrobenzene, 1-Chloro-5-fluoro-2-methyl-4-nitrobenzene
• CAS NO: 112108-73-3
• Molecular Formula: C₇H₅ClFNO₂
• Molecular Weight: 189.57
• EINECS: 1592732-453-0
• Mol File: 112108-73-3.mol
• Article Data: 17

Chemical Properties

• Melting Point: 34-36℃
• Boiling Point: 268℃
• Flash Point: 116℃
• Appearance: Yellow/Powder
• Density: 1.417
• Vapor Pressure: 0.013mmHg at 25°C
• Refractive Index: 1.549
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility: Slightly soluble in water.
• CAS DataBase Reference: 1-CHLORO-5-FLUORO-2-METHYL-4-NITRO-BENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-CHLORO-5-FLUORO-2-METHYL-4-NITRO-BENZENE(112108-73-3)
• EPA Substance Registry System: 1-CHLORO-5-FLUORO-2-METHYL-4-NITRO-BENZENE(112108-73-3)

Safety Data

• HazardClass: 6.1
• Hazardous Substances Data: 112108-73-3(Hazardous Substances Data)

Usage

Description

1-CHLORO-5-FLUORO-2-METHYL-4-NITRO-BENZENE is an organic compound with the molecular formula C7H5ClFNO2. It is a derivative of benzene, featuring a chlorine atom at the 1st position, a fluorine atom at the 5th position, a methyl group at the 2nd position, and a nitro group at the 4th position. 1-CHLORO-5-FLUORO-2-METHYL-4-NITRO-BENZENE is characterized by its potential reactivity and versatility in chemical synthesis, making it a valuable intermediate in various chemical and pharmaceutical applications.

Uses

Used in Pharmaceutical Industry:
1-CHLORO-5-FLUORO-2-METHYL-4-NITRO-BENZENE is used as a pharmaceutical intermediate for the synthesis of various drugs and medications. Its unique structure allows for further functionalization and modification, making it a key component in the development of new therapeutic agents.
Used as Ceritinib Intermediate:
Specifically, 1-CHLORO-5-FLUORO-2-METHYL-4-NITRO-BENZENE is utilized in the production of Ceritinib, a potent and selective anaplastic lymphoma kinase (ALK) inhibitor. Ceritinib is an important drug used in the treatment of non-small cell lung cancer (NSCLC) patients with ALK rearrangements. The compound's presence in the synthesis process highlights its significance in the development of targeted cancer therapies.

InChI:InChI=1/C7H5ClFNO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3

Upstream product

• 452-84-6 3-amino-4-fluorotoluene 
• 452-73-3 2-chloro-4-fluorotoluene 

Relevant articles and documents

Regiospecific Oxidative Nitration of 3,4-Dihydro-6,7-disubstituted Quinoxalin-2(1H)-ones Gives 1,4-Dihydro-5-nitro-6,7-disubstituted Quinoxaline-2,3-diones, Potent Antagonists at the NMDA/Glycine Site

The regiospecific oxidative nitration of 3,4-dihydro-6,7-disubstituted quinoxalin-2(1H)-ones (15a-h, 20) utilizing fuming nitric acid in TFA gave 1,4-dihydro-5-nitro-6,7-disubstituted quinoxaline-2,3-diones (6a-i), respectively, in good yields.Compounds 15a-h were prepared from commercially available 1-halo-3,4-disubstituted benzenes 12a-h in three steps.These were nitration, nucleophilic substitution of the halogen ortho to the nitro group with sodium glycinate, and finally, reduction of the nitro group and concomitant cyclization.Compound 20 was prepared from 16 by a different route involving alkylation of substituted o-nitroaniline 18.The final oxidative nitration yields a single, predictable nitro isomer and is a significant improvement over the direct nitration of 6,7-disubstituted quinoxaline-2,3-diones.

HYDRATE OF 2-ISOPROPOXY-5-METHYL-4-(PIPERIDIN-4-YL) ANILINE DIHYDROCHLORIDE, PREPARATION METHOD AND USE OF THE SAME

The present invention relates to 2-isopropoxy-5-methyl-4-(piperidin-4-yl) aniline dihydrochloride monohydrate and a preparation method of the same. The 2-isopropoxy-5-methyl-4-(piperidin-4-yl) aniline dihydrochloride monohydrate has a very good crystal form and is well suitable for recrystallization purification; further, the effect of impurity removal effect is very good, and any single impurity can be controlled less than 0.1%.

Preparation color Switzerland for Nepal new intermediate and its preparation method

The invention relates to intermediates, namely a compound 1 of a formula (1) as shown in the specification and a compound 2 of a formula (2) as shown in the specification, for preparing ceritinib, or a chemically acceptable salt of the compound 2, wherein R represents the benzylic group of saturated or unsaturated aromatic ring methylene or heteroaromatic ring methylene, and X represents a halogen. The invention relates to a method for preparing a compound 4 by use of the new intermediates, namely the compound 1 and the compound 2, wherein the step of reduction from the compound 1 to the compound 2 is performed by use of a hydroboron or a composition thereof and an alcohol solvent; the compound 2 is reduced by use of a catalytic hydrogenation or transfer hydrogenation method to generate the compound 4. The route of preparing the compound 4 by use of the compound 1 and the compound 2 has the advantages that the chemical reduction step is combined with a catalytic hydrogenation, the use of expensive platinum dioxide is avoided and the cost of synthesizing the intermediate 4 of the ceritinib is effectively reduced.