5-Benzothiazolecarboxylicacid,2-methyl-(8CI,9CI)

5-Benzothiazolecarboxylicacid,2-methyl-(8CI,9CI) (CAS: 24851-69-2) is a privileged heterocyclic building block widely used in medicinal chemistry and pharmaceutical development. 5-Benzothiazolecarboxylic acid, 2-methyl-(8CI,9CI) features a benzothiazole core with a methyl group at the 2-position and a carboxylic acid handle at the 5-position, providing a versatile scaffold for constructing diverse drug candidates. The carboxylic acid group can be readily amidated or esterified, while the benzothiazole skeleton imparts excellent binding affinity to biological targets such as dopamine receptors and cyclooxygenase enzymes. 5-Benzothiazolecarboxylic acid, 2-methyl-(8CI,9CI) is commonly employed as an intermediate in the synthesis of anti-inflammatory agents, antipsychotics, and anti-tuberculosis compounds. Cosperpharm supplies 5-Benzothiazolecarboxylic acid, 2-methyl-(8CI,9CI) with purity ≥98%, backed by full analytical documentation and stable storage at room temperature when sealed dry.

Product Parameters

Synthesis & Quality Control at Cosperpharm

The compound is typically prepared by oxidation of a suitable methyl precursor or by condensation of 2‑aminothiophenol derivatives with appropriate carboxylic acid equivalents. Cosperpharm produces it via a scalable, chromatography‑free route, followed by recrystallization to achieve high purity.

Quality control includes:

● HPLC (≥98.0%, UV detection at 254 nm)

● Melting point (202 ± 2 °C, sharp)

● ¹H NMR – confirms substitution pattern (methyl singlet near δ 2.8 ppm, aromatic protons, carboxylic OH)

● LC‑MS – confirms molecular weight (expected [M+H]⁺ = 194.1)

● Loss on drying (≤0.5%)

● Residual solvents by GC (methanol, DMF, etc.)

● Appearance – off‑white to yellow solid

A comprehensive COA, MSDS, and certificate of origin accompany every shipment. The product is stable for at least 24 months when stored sealed in a dry place at room temperature.

Frequently Asked Questions (FAQ)

Q1: What is the exact structure? How do I interpret the SMILES?

A: The SMILES string S1C2=CC=C(C(O)=O)C=C2N=C1C represents a thiazole ring (S1, N=C1C) fused to a benzene ring that carries the carboxylic acid at the 6‑position. The numbering: the thiazole sulfur is position 1, the nitrogen is position 3 (implicitly), the methyl is on carbon 2, and the benzene carbon attached to the acid is position 6. So the IUPAC name is 2‑methyl‑1,3‑benzothiazole‑6‑carboxylic acid.

Q2: Why is the melting point so high (202 °C)?

A: The rigid, planar benzothiazole core allows strong π‑π stacking in the crystal lattice. Additionally, the carboxylic acid forms intermolecular hydrogen bonds (dimer pairs), raising the melting point compared to non‑polar analogs.

Contact Cosperpharm – Make This Heterocyclic Yours

You have the target; we have the building block. Whether you’re screening a library of amides, scaling up a kinase inhibitor candidate, or just need a few grams for a proof‑of‑concept experiment, Cosperpharm is ready to supply CAS 24851‑69‑2 with consistent quality. Simply click ‘Request Quote’ on our website or send an email – tell us the quantity, your required purity, and any special packaging needs. We’ll come back to you within 24 hours with pricing, lead time, and a sample policy that works for you.