Dibutyl squarate

• CAT Number: M006951
• CAS Number: 2892-62-8
• Molecular Formula: C12H18O4
• Molecular Weight: 226.272
• Purity: ≥95%
• Synonyms: SQUARIC ACID DIBUTYL ESTER;SQUARIC ACID DI-N-BUTYL ESTER;TIMTEC-BB SBB007902;3,4-DI-N-BUTOXY-3-CYCLOBUTEN-1,2-DIONE;3,4-DI-N-BUTOXY-3-CYCLOBUTENE-1,2-DIONE;3,4-DIBUTOXY-3-CYCLOBUTENE-1,2-DIONE;3,4-DIBUTOXYCYCLOBUT-3-ENE-1,2-DIONE;DIBUTYL SQUARATE
• Storage: -20°C
• IUPAC Name: 3,4-dibutoxycyclobut-3-ene-1,2-dione
• InChI: InChI=1S/C12H18O4/c1-3-5-7-15-11-9(13)10(14)12(11)16-8-6-4-2/h3-8H2,1-2H3
• InChIKey: XBRWELTXMQSEIN-UHFFFAOYSA-N
• SMILES: CCCCOC1=C(C(=O)C1=O)OCCCC

Dibutyl squarate(CAT: M006951) holds significance in the realm of organic chemistry, particularly in the synthesis of specialized dyes. As a dialkyl ester of squaric acid, it is employed in the creation of a semisquarylium dye that exhibits high selectivity for Hg2+ sensing in aqueous environments. This compound’s ability to contribute to the development of dyes with specific sensing properties underscores its importance in analytical chemistry applications.

Overview of Clinical Research

 is under investigation in clinical trial NCT01971385 (Safety and Efficacy of Squaric Acid Dibutyl Ester for the Treatment of Herpes Labialis).

Reference

1.Kim, Sung Hoon, et al. "Syntheses and properties of functional aminosquarylium dyes." Dyes and pigments 37.2 (1998): 145-154.
2.Bae, Jin-Seok, et al. "A benzothiazole-based semisquarylium dye suitable for highly selective Hg2+ sensing in aqueous media." Dyes and Pigments 83.3 (2009): 324-327.
3.Tatarets, Anatoliy L., et al. "Synthesis of novel squaraine dyes and their intermediates." Dyes and Pigments 64.2 (2005): 125-134.
4.Shishkina, S. V., et al. "Molecular and crystal structure of 3-butoxy-4-(1, 3, 3-trimethyl-2, 3-dihydro-1H-2-indolylidenemethyl)-3-cyclobutene-1, 2-dione and its thio analog." Journal of Structural Chemistry 46.1 (2005): 154-158.