5-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate hydrochloride (1:1) | CAS No. 389574-19-0

5-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate hydrochloride (1:1)

Basic Information

CAS Number

389574-19-0

Molecular Formula

C20H21ClFNO3S

Molecular Weight

409.91 g/mol

AD

Basic Physical Properties

CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

InChI

InChI=1S/C20H20FNO3S.ClH/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21;/h2-5,10,13,19H,6-9,11H2,1H3;1H

InChIKey

JALHGCPDPSNJNY-UHFFFAOYSA-N

LogP

4.312800000000005

Topological Polar Surface Area

46.61 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

555

Synonyms & References

English

  • Effient (TN)
  • (+-)-prasugrel hydrochloride
  • s4637
  • PCR 4099 (hydrochloride)
  • LY640315
  • rac-2-(acetyloxy)-5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-4,5,6,7-tetrahydrothieno(3,2-c)pyridin-5-ium chloride
  • Prasugrenhydrochloride
  • Prasugrel HCl
  • PRASUGREL HYDROCHLORIDE [ORANGE BOOK]
  • MFCD11867705
  • 2-ACETOXY-5-(alpha-CYCLOPROPYLCARBONYL-2-FLUOROBENZYL)-4,5,6,7-TETRAHYDROTHIENO(3,2-C)PYRIDINE HYDROCHLORIDE
  • Effient hydrochloride
  • PRASUGREL HYDROCHLORIDE [USP MONOGRAPH]
  • Q27278929
  • Prasugren HCl
  • rac-prasugrel hydrochloride
  • (RS)-prasugrel hydrochloride
  • HCl, Prasugrel
  • HY-15284A
  • CCG-268764
  • NCGC00188690-01
  • PRASUGREL HYDROCHLORIDE [VANDF]
  • CHEMBL1201773
  • CHEBI:87697
  • 5-((1RS)-2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-4,5,6,7-tetrahydrothieno(3,2-c)pyridin-2-yl acetate monohydrochloride
  • BCP16928
  • 5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate hydrochloride
  • Prasugrel (hydrochloride)
  • PRASUGREL HYDROCHLORIDE (USP-RS)
  • Ethanone, 2-(2-(acetyloxy)-6,7-dihydrothieno(3,2-c)pyridin-5(4H)-yl)-1-cyclopropyl-2-(2-fluorophenyl)-, hydrochloride
  • PRASUGREL HYDROCHLORIDE (EP MONOGRAPH)

MDL Number

MFCD11867705

FAQ

What are the physical and chemical properties of 5-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate hydrochloride (CAS: 389574-19-0)?

This compound is a crystalline solid with a molecular weight of approximately 523.66 g/mol. It has a low solubility in water but is more soluble in organic solvents like dimethylformamide (DMF) and methanol. The compound exhibits moderate reactivity, particularly in acidic conditions. It is highly sensitive to moisture and heat, requiring careful handling to prevent degradation.

How is 5-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate hydrochloride (CAS: 389574-19-0) typically synthesized?

The compound is synthesized using a multistep process involving the condensation of a fluorophenyl-substituted cyclopropylacetic acid derivative with a thieno[3,2-c]pyridine intermediate under basic conditions. The final step involves acetonylation followed by hydrochloride salt formation. The reaction is typically catalyzed by a mild base like triethylamine, and the selectivity and yield are high due to optimized reaction conditions.

What industries use 5-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate hydrochloride (CAS: 389574-19-0)?

This compound is primarily used in the pharmaceutical industry as an intermediate in the synthesis of complex drugs. It also has potential applications in the development of novel materials, particularly in the polymer and sensor sectors, due to its unique structural features.

What precautions should be taken when handling 5-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate hydrochloride (CAS: 389574-19-0)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated hood to minimize exposure. The compound should be stored in a cool, dry place away from moisture and heat. In case of a spill, neutralize the spill with an appropriate solvent and dispose of the waste according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.

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