(4R,12aS)-7-Hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid | CAS No. 1246616-73-8

(4R,12aS)-7-Hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid

Basic Information

CAS Number

1246616-73-8

Molecular Formula

C13H14N2O6

Molecular Weight

294.26 g/mol

AD

Basic Physical Properties

CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)O)O

InChI

InChI=1S/C13H14N2O6/c1-6-2-3-21-8-5-14-4-7(13(19)20)10(16)11(17)9(14)12(18)15(6)8/h4,6,8,17H,2-3,5H2,1H3,(H,19,20)/t6-,8+/m1/s1

InChIKey

KVXRWTBFPVMIGC-SVRRBLITSA-N

LogP

-0.1572

Topological Polar Surface Area

109.07000000000001 Ų

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

608

Synonyms & References

English

  • (S)-7-hydroxy-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid
  • (4R,12aS)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid
  • (4R,12aS)-7-Hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylicacid
  • (4R,12aS)-7-Hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid
  • (3S,7R)-11-Hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
  • SCHEMBL81652
  • F11520
  • (4R,12aS)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxylic acid
  • 1246616-73-8
  • AMY30023

MDL Number

MFCD28978320

FAQ

What are the physical and chemical properties of (4R,12aS)-7-Hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid (CAS: 1246616-73-8)?

This compound is a crystalline solid with a high molecular weight and low solubility in water. It is reactive, particularly towards nucleophiles and acids. The compound exhibits a significant pKa value, indicating basicity under certain conditions.

How is (4R,12aS)-7-Hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid (CAS: 1246616-73-8) typically synthesized?

This compound can be synthesized via a multi-step synthesis involving key reactions such as condensation, ring closure, and oxidation. Commonly used catalysts include metal complexes, and the overall yield is around 70-80%. The exact methodology may vary depending on the specific starting materials and conditions.

What industries use (4R,12aS)-7-Hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid (CAS: 1246616-73-8)?

This compound is primarily used in the pharmaceutical industry for its potential as a bioactive molecule. It has also shown promise in the development of materials for sensors and semiconductors, though on a smaller scale.

What precautions should be taken when handling (4R,12aS)-7-Hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid (CAS: 1246616-73-8)?

When handling this compound, wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Use a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

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