Description

6-(Bromomethyl)-2-methyl-4(1H)-quinazolinone (CAS No. 112888-43-4) is a high-purity brominated quinazolinone derivative with the molecular formula C₁₀H₉BrN₂O. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialized materials. With a bromomethyl functional group at the 6-position, it enables efficient nucleophilic substitution reactions, making it valuable for constructing complex heterocyclic frameworks. The product is supplied as a crystalline solid with ≥95% purity (HPLC), ensuring optimal reactivity for demanding research applications. It is packaged under inert conditions to maintain stability and is compatible with anhydrous reaction environments. Ideal for medicinal chemistry, this compound is often utilized in kinase inhibitor research and other small-molecule drug discovery programs.

Properties

• CAS Number: 112888-43-4
• Complexity: 277
• IUPAC Name: 6-(bromomethyl)-2-methyl-3H-quinazolin-4-one
• InChI: InChI=1S/C10H9BrN2O/c1-6-12-9-3-2-7(5-11)4-8(9)10(14)13-6/h2-4H,5H2,1H3,(H,12,13,14)
• InChI Key: YAHALGNQKDVJLJ-UHFFFAOYSA-N
• Exact Mass: 251.98983
• Molecular Formula: C10H9BrN2O
• Molecular Weight: 253.09
• SMILES: CC1=NC2=C(C=C(C=C2)CBr)C(=O)N1
• Topological: 41.5
• Monoisotopic Mass: 251.98983
• Synonyms: 6-(Bromomethyl)-2-methyl-4(1H)-quinazolinone, 682-524-5, 112888-43-4, 6-(Bromomethyl)-2-methylquinazolin-4(3H)-one, 6-Bromomethyl-3,4-dihydro-2-methyl-quinazolin-4-one, 6-(Bromomethyl)-2-methyl-4(3H)-quinazolinone, 6-(bromomethyl)-2-methyl-1H-quinazolin-4-one, 6-(bromomethyl)-2-methyl-3,4-dihydroquinazolin-4-one, 4(1H)-Quinazolinone, 6-(bromomethyl)-2-methyl-, 6-bromomethyl-3,4-dihydro-2-methylquinazolin-4-one, SCHEMBL7257451, SCHEMBL9245492, DTXSID50344789, BCP15330, MFCD06200810, AKOS015914744, AKOS016003425, AB23052, FB19252, BS-42441, 2-methyl-(6-bromomethyl)-4-hydroxyquinazoline, Quinazolin-4(3H)-one, 6-bromomethyl-2-methyl-, 6-(Bromomethyl)-2-methyl-4(3H)-quinazolinone #, 6-bromomethyl-3,4-dihydro-2-methyl4-oxoquinazoline, 6-(BROMOMETHYL)-2-METHYL-3H-QUINAZOLIN-4-ONE, 6-(BROMOMETHYL)-2-METHYLQUINAZOLIN-4(1H)-ONE, 6-bromomethyl-3,4-dihydro-2-methyl-4-oxoquinazoline

6-(Bromomethyl)-2-methyl-4(1H)-quinazolinone is primarily used as a key synthetic intermediate in medicinal chemistry for the preparation of quinazoline-based bioactive compounds. Its reactive bromomethyl group facilitates cross-coupling and alkylation reactions, enabling the introduction of diverse pharmacophores. Researchers employ this compound in the synthesis of potential kinase inhibitors, anticancer agents, and antimicrobial derivatives. It is also explored in materials science for designing luminescent or electron-transporting organic molecules. Strict handling under anhydrous conditions is recommended due to its sensitivity to moisture.

Safety and Hazards

GHS Hazard Statements

• H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (75%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (25%)
• Skin Sens. 1 (75%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (25%)

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