Methyl 3-iodo-4-methylbenzoate, 98%, Thermo Scientific Chemicals

Description

Methyl 3-Iodo-4-methylbenzoate is used as a reagent in the synthesis of [(pyrazolo[1,5-a]pyridmidinyl)ethynyl]benzamides as selective discoidin domain receptor 1 (DDR1) inhibitors. Also used as a reagent in the preparation of orally bioavailable GZD824 targeting Breakpoint Cluster Region-Abelson (Bcr-Abl) kinase and overcoming antitumor drug resistance.

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 brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Methyl 3-Iodo-4-methylbenzoate is used as a reagent in the synthesis of [(pyrazolo[1,5-a]pyridmidinyl)ethynyl]benzamides as selective discoidin domain receptor 1 (DDR1) inhibitors. Also used as a reagent in the preparation of orally bioavailable GZD824 targeting Breakpoint Cluster Region-Abelson (Bcr-Abl) kinase and overcoming antitumor drug resistance.

Solubility
Not miscible or difficult to mix with water.

Notes
Light Sensitive, store in dark. Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from oxidizing agent.

Specifications

Chemical Identifiers

• CAS: 90347-66-3
• Molecular Formula: C9H9IO2
• Molecular Weight (g/mol): 276.073
• MDL Number: MFCD00230583
• InChI Key: NKMHAOTZPFVSPC-UHFFFAOYSA-N
• Synonym: 3-iodo-4-methylbenzoic acid methyl ester, methyl 3-iodo-p-toluate, methyl-3-iodo-4-methylbenzoate, methyl 3-iodo-4-methyl-benzoate, 2-iodo-4-methoxycarbonyl toluene, benzoic acid, 3-iodo-4-methyl-, methyl ester, methyl3-iodo-4-methylbenzoate, 3-iodo-4-methylbenzoic acidmethyl ester, methyl 3-iodo-4-meth, ksc495m1r
• PubChem CID: 13614033
• IUPAC Name: methyl 3-iodo-4-methylbenzoate
• SMILES: CC1=C(C=C(C=C1)C(=O)OC)I

• Refractive Index: 1.5975
• Quantity: 25 g
• Sensitivity: Light sensitive
• Solubility Information: Not miscible or difficult to mix with water.
• Formula Weight: 276.07
• Percent Purity: 98%
• Chemical Name or Material: Methyl 3-iodo-4-methylbenzoate

Safety and Handling

Hazard Category	H315-H319
Hazard Statement	GHS H Statement H315-H319 Causes skin irritation. Causes serious eye irritation.
Precautionary Statement	P264b-P280-P302+P352-P305+P351+P338-P332+P313-P362
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only