133232-56-1

Basic information

• Product Name: 3-Iodo-2-methylbenzoic acid
• Synonyms: 3-IODO-2-METHYLBENZOIC ACID;2-Methyl-3-Iodobenzoic Acid;2-Carboxy-6-iodotoluene, 3-Iodo-o-toluic acid
• CAS NO: 133232-56-1
• Molecular Formula: C₈H₇IO₂
• Molecular Weight: 262.04
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Acids & Esters;Iodine Compounds
• Mol File: 133232-56-1.mol
• Article Data: 7

Chemical Properties

• Melting Point: 124-126°C
• Boiling Point: 341.8 °C at 760 mmHg
• Flash Point: 160.5 °C
• Appearance: /
• Density: 1.867 g/cm³
• Vapor Pressure: 3.03E-05mmHg at 25°C
• Storage Temp.: 2-8°C(protect from light)
• PKA: 3.60±0.10(Predicted)
• CAS DataBase Reference: 3-Iodo-2-methylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Iodo-2-methylbenzoic acid(133232-56-1)
• EPA Substance Registry System: 3-Iodo-2-methylbenzoic acid(133232-56-1)

Safety Data

• HazardClass: LIGHT SENSITIVE
• Hazardous Substances Data: 133232-56-1(Hazardous Substances Data)

Usage

General Description

3-Iodo-2-methylbenzoic acid is a chemical compound with the molecular formula C8H7IO2. It is a derivative of benzoic acid, with an iodine atom and a methyl group attached to the benzene ring. 3-Iodo-2-methylbenzoic acid is often used in organic synthesis and pharmaceutical research as a building block for the production of various drugs and pharmaceuticals. It is also utilized in the manufacturing of dyes, polymers, and other industrial chemicals. 3-Iodo-2-methylbenzoic acid has potential applications in medicinal chemistry and drug development, making it an important compound in the field of pharmaceutical research and development.

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

Upstream product

• 118-90-1 ortho-methylbenzoic acid 
• 52130-17-3 3-amino-2-methylbenzoic acid 
• 52107-66-1 3-iodo-2-methylbenzonitrile 
• 1975-50-4 2-methyl-3-nitrobenzic acid 
• 69022-35-1 2-methyl-3-amino-benzonitrile 

Downstream Products

• 52107-91-2 3-iodo-2-methylbenzoic acid chloride 
• 146197-51-5 3-iodo-2-methylbenzyl methoxymethyl ether 
• 218765-84-5 [3-(3-Isopropyl-4-methyl-pent-4-enyl)-2-methyl-phenyl]-methanol 
• 218765-83-4 1-(3-Isopropyl-4-methyl-pent-4-enyl)-3-methoxymethoxymethyl-2-methyl-benzene 
• 218765-82-3 3-Isopropyl-1-(3-methoxymethoxymethyl-2-methyl-phenyl)-4-methyl-pent-4-en-1-one 
• 218765-80-1 3-Isopropyl-1-(3-methoxymethoxymethyl-2-methyl-phenyl)-4-methyl-pent-4-en-1-ol 
• 1186519-69-6 5-chlorosulfonyl-3-iodo-2-methylbenzoic acid 
• 914299-19-7 C₁₁H₁₂IN 
• 914299-20-0 C₁₁H₁₄IN 
• 914299-95-9 methyl 2-methyl-3-pyrrolidin-2-ylbenzoate 
• 1097201-38-1 C₁₄H₁₄INO₂ 
• 914299-21-1 C₁₆H₂₂INO₂ 
• 914299-22-2 C₁₈H₂₅NO₄ 
• 914299-23-3 methyl 3-{1-[5-chloro-2,4-bis(methoxymethoxy)benzoyl]pyrrolidin-2-yl}-2-methylbenzoate 

Relevant articles and documents

METHOD FOR PRODUCING HALOGENATED BENZENE DERIVATIVE

PROBLEM TO BE SOLVED: To provide a method for producing a halogenated benzene derivative, which is highly efficient and economically advantageous. SOLUTION: The method produces a halogenated benzene derivative represented by formula (2) by reacting a benzene derivative represented by formula (1) with a halogenating agent selected from N-halogen succinimide and the like in the presence of an acid selected from sulfuric acid and methanesulfonic acid. (R1 is H, a hydroxyl group, or an alkoxy group; R2 and R3 are each independently H or a hydrocarbon group; a is an integer of 1-4; b is an integer of 1-4; a+b is an integer of 2-5; X is a halogen atom; c is an integer of 1-4; and a+b+c is an integer of 3-6). SELECTED DRAWING: None COPYRIGHT: (C)2018,JPO&INPIT

Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone

Information from X-ray crystal structures were used to optimize the potency of a HTS hit in a Hsp90 competitive binding assay. A class of novel and potent small molecule Hsp90 inhibitors were thereby identified. Enantio-pure compounds 31 and 33 were potent in PGA-based competitive binding assay and inhibited proliferation of various human cancer cell lines in vitro, with IC50 values averaging 20 nM.

PROCESS FOR PRODUCING 5-IODO-2-METHYLBENZOIC ACID

The present invention provides a process for producing 5-iodo-2-methylbenzoic acid through iodination of 2-methylbenzoic acid, the process including, as essential steps, a reaction step of iodinating 2-methylbenzoic acid in the presence of a microporous compound, iodine, an oxidizing agent, and acetic anhydride, and a purification step including sublimation, distillation, crystallization, or a combination of two or more of these. According to the present invention, 5-iodo-2-methylbenzoic acid, which is useful for producing functional chemicals such as drugs, can be produced at high purity and high yield in a simple manner. Since the production process includes a simple reaction step and a simple separation/purification step, the load of purification is mitigated. In addition, the microporous compound such as a zeolite catalyst which has been separated and recovered from the reaction mixture can be repeatedly employed after performing of a simple treatment. Thus, the production process ensures a long service life of catalysts and high efficiency.