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CAS 36556-75-9

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2H-1-Benzopyran-2-one, 8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-methyl-, hydrochloride (1:1)

Description:
2H-1-Benzopyran-2-one, 8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-methyl-, hydrochloride (1:1), commonly known as a derivative of coumarin, exhibits several notable characteristics. This compound features a benzopyran core, which is a fused ring structure that contributes to its aromatic properties. The presence of a hydroxyl group and an amino group in its structure enhances its solubility in polar solvents and may influence its biological activity. The tert-butyl group attached to the amino moiety provides steric hindrance, potentially affecting the compound's interaction with biological targets. As a hydrochloride salt, it is typically more stable and soluble in aqueous solutions compared to its free base form. This compound may exhibit various pharmacological activities, including anti-inflammatory and antioxidant properties, making it of interest in medicinal chemistry. Its specific interactions and efficacy would depend on the context of its use, including concentration and the biological system involved. Overall, this compound represents a complex structure with potential applications in pharmaceuticals and biochemistry.
Formula:C17H23NO4·ClH
InChI:InChI=1S/C17H23NO4.ClH/c1-11-5-7-14(16-13(11)6-8-15(20)22-16)21-10-12(19)9-18-17(2,3)4;/h5-8,12,18-19H,9-10H2,1-4H3;1H
InChI key:InChIKey=OQVOZUWFVLLPRL-UHFFFAOYSA-N
SMILES:O(CC(CNC(C)(C)C)O)C1=C2C(=C(C)C=C1)C=CC(=O)O2.Cl
Synonyms:
  • 2H-1-Benzopyran-2-one, 8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-methyl-, hydrochloride, (±)-
  • 2H-1-Benzopyran-2-one, 8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-methyl-, hydrochloride (1:1)
  • DL-5-Methyl-8-(2-hydroxy-3-tert-butylaminopropoxy)coumarin hydrochloride
  • 2H-1-Benzopyran-2-one, 8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-methyl-, hydrochloride
  • (±)-5-Methyl-8-(2-hydroxy-3-tert-butylaminopropoxy)coumarin hydrochloride
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