CAS 5471-81-8

Methyl 4-iodo-3-methylbenzoate

Description:

Methyl 4-iodo-3-methylbenzoate, with the CAS number 5471-81-8, is an organic compound belonging to the class of benzoate esters. It features a methyl group and an iodine atom substituted on a benzene ring, which contributes to its unique chemical properties. The molecular structure consists of a benzoate moiety with a methyl group at the 3-position and an iodine atom at the 4-position, influencing its reactivity and potential applications. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its moderate solubility in organic solvents, such as ethanol and ether, while being less soluble in water. Methyl 4-iodo-3-methylbenzoate can participate in various chemical reactions, including nucleophilic substitutions and coupling reactions, making it valuable in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Safety precautions should be observed when handling this compound, as it may pose health risks if ingested or inhaled.

Formula: C₉H₉IO₂

InChI: InChI=1/C9H9IO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3

SMILES: Cc1cc(ccc1I)C(=O)OC

Synonyms:

• Benzoic acid, 4-iodo-3-methyl-, methyl ester
• Methyl 4-Iodo-3-methylbenzoate

Methyl 4-Iodo-3-methylbenzoate

CAS: 5471-81-8

Formula: C₉H₉IO₂

Purity: >98.0%(GC)

Color and Shape: White to Light yellow to Light orange powder to crystal

Molecular weight: 276.07

Ref: 3B-I0601

Methyl 4-iodo-3-methylbenzoate, 98%

CAS: 5471-81-8

Methyl 4-iodo-3-methylbenzoate is used in the synthesis of novel colchicine-derived nitrate esters as immunosuppressant agents. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy bra

Formula: C₉H₉IO₂

Purity: 98%

Color and Shape: Crystals or powder or crystalline powder, Cream to pale orange

Molecular weight: 276.07

Ref: 02-B25395

Methyl 4-iodo-3-methylbenzoate

CAS: 5471-81-8

Formula: C₉H₉IO₂

Purity: 97%

Color and Shape: Solid

Molecular weight: 276.0710

Ref: IN-DA003RVQ

Methyl 4-iodo-3-methylbenzoate

CAS: 5471-81-8

Methyl 4-iodo-3-methylbenzoate

Formula: C₉H₉IO₂

Purity: 97%

Color and Shape: white to yellow solid

Molecular weight: 276.07g/mol

Ref: 54-OR4700

Methyl 4-iodo-3-methylbenzoate

CAS: 5471-81-8

Formula: C₉H₉IO₂

Purity: 97%

Color and Shape: Low Melting Solid

Molecular weight: 276.073

Ref: 10-F037794

4-Iodo-3-methylbenzoic Acid Methyl Ester

CAS: 5471-81-8

Formula: C₉H₉IO₂

Color and Shape: Neat

Molecular weight: 276.07

Ref: TR-I708600

4-Iodo-3-methylbenzoic acid methyl ester

CAS: 5471-81-8

4-Iodo-3-methylbenzoic acid methyl ester is a chemical that is structurally analogous to 4-iodo-2,5-dimethoxybenzoic acid methyl ester. It is synthesized by the reaction of 3-methylbenzoic acid with ethyl chloroformate and iodomethane. 4-Iodo-3-methylbenzoic acid methyl ester has been shown to inhibit o6 alkylguanine DNA alkyltransferase (AGT) and o6 alkylguanine dna glycosylase (AGG). AGT and AGG are enzymes that repair DNA damage caused by reactive oxygen species. This inhibition leads to the accumulation of DNA damage in cells and induces apoptosis.

Formula: C₉H₉IO₂

Purity: 90%

Color and Shape: Powder

Molecular weight: 276.07 g/mol

Ref: 3D-FI67773