(3S,11aR)-N-(2,4-Difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide | CAS No. 1051375-10-0

(3S,11aR)-N-(2,4-Difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide

Basic Information

CAS Number

1051375-10-0

Molecular Formula

C19H17F2N3O5

Molecular Weight

405.35 g/mol

AD

Basic Physical Properties

Boiling Point

664.0±55.0°C at 760 mmHg

C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12

InChI

InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1

InChIKey

WCWSTNLSLKSJPK-LKFCYVNXSA-N

Complexity

814

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • GSK-1265744
  • Cabotegravir
  • Gsk1265744
  • GSK744
  • SureCN82803
  • SK744, GSK1265744
  • Cyclic pyranopterin
  • Cabotegravir Free Acid
  • Cabotegravir (GSK744, GSK1265744)
  • (3S,11AR)-N-(2,4-DIFLUOROBENZYL)-6-HYDROXY-3-METHYL-5,7-DIOXO-2,3,5,7,11,11A-HEXAHYDROOXAZOLO[3,2-A]PYRIDO[1,2-D]PYRAZINE-8-CARBOXAMIDE
  • (3S,11aR)-N-[(2,4-Difluorophenyl)methyl]-2,3,5,7,11,11a-hexahydro-6-hydroxy-3-methyl-5,7-dioxo-oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide
  • GSK1265744A
  • GSK744 (S/GSK1265744)
  • HMH0132Z1Q
  • CAB
  • Cabotegravir [USAN:INN]
  • GSK744 LAP
  • GSK744 LA
  • S/
  • (3S,11aR)-N-(2,4-difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide

MDL Number

MFCD25976748

FAQ

What are the physical and chemical properties of (3S,11aR)-N-(2,4-Difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide (CAS: 1051375-10-0)?

This compound is a crystalline solid with a molecular weight of approximately 444.3 g/mol. It is moderately soluble in organic solvents like DMSO and acetonitrile. Chemically, it is highly reactive due to the presence of ester and amide groups. It exhibits favorable interactions with receptors, making it an interesting compound for medicinal and analytical chemistry applications.

How is (3S,11aR)-N-(2,4-Difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide (CAS: 1051375-10-0) typically synthesized?

This compound is synthesized via a multi-step process involving condensation reactions, amide formation, and functional group modifications. Key steps include the use of fluoride-containing benzyl derivatives and precise control of reaction conditions to achieve high yield and selectivity. The process often requires the use of catalysts such as palladium and specific bases for optimal results.

What industries use (3S,11aR)-N-(2,4-Difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide (CAS: 1051375-10-0)?

This compound finds applications in the pharmaceutical industry for its potential as a drug candidate. It is also used in analytical chemistry for developing sensitive detection methods and in the semiconductor industry for its electronic properties. Additionally, it may be used in polymer chemistry for specific functionalization purposes.

What precautions should be taken when handling (3S,11aR)-N-(2,4-Difluorobenzyl)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide (CAS: 1051375-10-0)?

When handling this compound, ensure to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize exposure. Spills should be managed with care using suitable absorbent materials and cleaned up in accordance with safety data sheet (SDS) guidelines. Always refer to the latest SDS for specific handling instructions and emergency procedures.

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