54811-38-0

Basic information

• Product Name: 5-Iodo-2-methylbenzoic acid
• Synonyms: 5-IODO-2-METHYL BENZOIC ACID;5-IODO-2-METHYL BENZOIC ACID 95.0%;5-lodo-2-methyl-Benzoic-acid;5-iodo-methyl-benzoic Acid;5-Iodo-2-Methybenzoic Acid;5-Iodo-2-methylbenzo;5- iodine-2- Methylbenzoic acid;5-Iodo-o-toluic Acid
• CAS NO: 54811-38-0
• Molecular Formula: C8H7IO2
• Molecular Weight: 262.04
• EINECS: 1308068-626-2
• Product Categories: BenzoicAcidDerivative;Acids & Esters;Iodine Compounds
• Mol File: 54811-38-0.mol
• Article Data: 12

Chemical Properties

• Melting Point: 179.0 to 183.0 °C
• Boiling Point: 339.6 °C at 760 mmHg
• Flash Point: 159.2 °C
• Appearance: /
• Density: 1.867 g/cm³
• Vapor Pressure: 3.53E-05mmHg at 25°C
• Refractive Index: 1.645
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 3.52±0.25(Predicted)
• CAS DataBase Reference: 5-Iodo-2-methylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Iodo-2-methylbenzoic acid(54811-38-0)
• EPA Substance Registry System: 5-Iodo-2-methylbenzoic acid(54811-38-0)

Safety Data

• Hazardous Substances Data: 54811-38-0(Hazardous Substances Data)

Usage

Chemical Properties

White crystalline powder

Uses

5-Iodo-2-methylbenzoic acid

InChI:InChI=1/C8H7IO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)

Upstream product

• 118-90-1 ortho-methylbenzoic acid 
• 77324-87-9 methyl 2-methyl-5-nitrobenzoate 
• 1975-52-6 5-nitro-o-toluic acid 
• 939-83-3 2-cyano-4-nitrotoluene 
• 7745-93-9 2-bromo-4-nitrotoluene 
• 2840-04-2 5-amino-2-methylbenzoic acid 
• 7681-11-0 potassium iodide 

Downstream Products

• 914299-28-8 C₁₁H₁₄IN 
• 914299-27-7 C₁₁H₁₂IN 
• 1097201-36-9 methyl 4-methyl-3-pyrrolidin-2-ylbenzoate 
• 914299-26-6 C₁₄H₁₄INO₂ 
• 914299-29-9 C₁₆H₂₂INO₂ 
• 914299-30-2 C₁₈H₂₅NO₄ 
• 914299-32-4 methyl 3-{1-[5-chloro-2,4-bis(methoxymethoxy)benzoyl]pyrrolidin-2-yl}-4-methylbenzoate 
• 914299-34-6 3-{1-[5-chloro-2,4-bis(methoxymethoxy)benzoyl]pyrrolidin-2-yl}-N-ethyl-4-methylbenzamide 

Relevant articles and documents

ETHYNYL COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE FOR THE TREATMENT OF MALARIA

The present disclosure relates to compounds of formula (I) or a pharmaceutically acceptable salt thereof wherein R1 means a fluorine atom or a perhalogeno linear alkyl radical containing 1, 2 or 3 carbon atoms; R2 means a chlorine atom, a linear alkyl radical containing 1, 2 or 3 carbon atoms or a perhalogeno linear alkyl radical containing 1, 2 or 3 carbon atoms, and R means a hydrogen atom or a radical of formula (la). The present disclosure also relates to processes for their preparation as well their therapeutic uses, in particular such as for use in the treatment of malaria.

METHOD FOR PRODUCING HALOGEN COMPOUND

PROBLEM TO BE SOLVED: To provide a method for producing an iodine compound with high efficiency and in an economically advantageous manner. SOLUTION: According to a method, in the presence of at least one acid selected from sulfuric acid, methane sulfonic acid, and trifluoromethane sulfonic acid, and an oxidizing agent, a benzene derivative is reacted with at least one halogenating agent selected from hydrogen halide and haloid, to produce a halogen compound of a corresponding benzene derivative. SELECTED DRAWING: None COPYRIGHT: (C)2018,JPO&INPIT

N-Iodosuccinimide (NIS) in Direct Aromatic Iodination

N-Iodosuccinimide (NIS) in pure trifluoroacetic acid (TFA) offers a time-efficient and general method for the iodination of a wide range of mono- and disubstituted benzenes at room temperature, as demonstrated in this paper. The starting materials were generally converted into mono-iodinated products in less than 16 hours at room temperature, without byproducts. A few deactivated substrates needed addition of sulfuric acid to increase the reaction rate. Another exception was methoxybenzenes that preferentially were iodinated by NIS in acetonitrile with only catalytic amounts of TFA.