Description

Tert-butyl 4-formylbenzo[d]thiazol-2-ylcarbamate (CAS No. 1223748-47-7) is a high-purity chemical compound with the molecular formula C₁₃H₁₄N₂O₃S and IUPAC name tert-butyl N-(4-formyl-1,3-benzothiazol-2-yl)carbamate. This specialized benzothiazole derivative features a formyl group at the 4-position and a tert-butyl carbamate moiety at the 2-position, making it a valuable intermediate in organic synthesis and pharmaceutical research. The compound is supplied as a crystalline solid with >95% purity (HPLC), ensuring consistency for sensitive applications. Its unique structure enables use in heterocyclic chemistry, medicinal chemistry, and as a building block for drug discovery. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability.

Properties

• CAS Number: 1223748-47-7
• Complexity: 356
• IUPAC Name: tert-butyl N-(4-formyl-1,3-benzothiazol-2-yl)carbamate
• InChI: InChI=1S/C13H14N2O3S/c1-13(2,3)18-12(17)15-11-14-10-8(7-16)5-4-6-9(10)19-11/h4-7H,1-3H3,(H,14,15,17)
• InChI Key: AJAFEUPCFVMWDG-UHFFFAOYSA-N
• Exact Mass: 278.07251349
• Molecular Formula: C13H14N2O3S
• Molecular Weight: 278.33
• SMILES: CC(C)(C)OC(=O)NC1=NC2=C(C=CC=C2S1)C=O
• Topological: 96.5
• Monoisotopic Mass: 278.07251349
• Synonyms: 1223748-47-7, tert-butyl 4-formylbenzo[d]thiazol-2-ylcarbamate, tert-butyl (4-formylbenzo[d]thiazol-2-yl)carbamate, tert-butyl N-(4-formyl-1,3-benzothiazol-2-yl)carbamate, (4-FORMYL-BENZOTHIAZOL-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER, tert-butyl N-(4-formyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)carbamate, MFCD15072118, tert-Butyl(4-formylbenzo[d]thiazol-2-yl)carbamate, SCHEMBL22111829, DTXSID20677793, AKOS015837460, AKOS037646270, AS-67807, DB-062048, CS-0060901, F13029, tert-Butyl (4-formyl-1,3-benzothiazol-2-yl)carbamate, (4-Formyl-benzothiazol-2-yl)-carbamic acid t-butyl ester

Application

Tert-butyl 4-formylbenzo[d]thiazol-2-ylcarbamate serves as a key intermediate in the synthesis of benzothiazole-based pharmaceutical compounds. Researchers utilize this aldehyde-functionalized heterocycle for Schiff base formation and subsequent derivatization in drug discovery programs. The tert-butyloxycarbonyl (Boc) protecting group allows selective deprotection for further functionalization. It has shown utility in developing kinase inhibitors and antimicrobial agents. The compound’s benzothiazole core is particularly valuable in designing fluorescent probes and bioactive molecules.

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