Ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]vinyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate | CAS No. 618385-01-6

Ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]vinyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate

Basic Information

CAS Number

618385-01-6

Molecular Formula

C29H33FN2O4

Molecular Weight

492.59 g/mol

AD

Basic Physical Properties

Density

1.24±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (1.5E-4 g/L) (25 ºC),

CCOC(=O)N[C@@H]1CC[C@H]2[C@H](/C=C/c3ccc(cn3)c4cccc(F)c4)[C@@H]5[C@@H](C)OC(=O)[C@@H]5C[C@@H]2C1

InChI

InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/b12-9+/t17-,20+,23-,24-,25+,26-,27+/m1/s1

InChIKey

ZBGXUVOIWDMMJE-QHNZEKIYSA-N

LogP

5.6295000000000055

Topological Polar Surface Area

77.52000000000001 Ų

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

821

Synonyms & References

English

  • SCH 530348
  • Ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)-2- pyridinyl]vinyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-y l]carbamate
  • SCH 530348 - VORAPAXAR
  • Vorapaxar
  • ((1r,3ar,4ar,6r,8ar,9s,9as)-9-((1e)-2-(5-(3-fluorophenyl)-2-pyridinyl)ethenyl)dodecahydro-1-methyl-3-oxonaphtho(2,3-c)furan-6-yl)-carbamic acid ethyl ester
  • SCH-530348
  • [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(1E)-2-[5-(3-Fluorophenyl)-2-pyridinyl]ethenyl]dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]-carbamic acid ethyl ester
  • Zontivity
  • SCH530348
  • ZCE93644N2
  • ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(5-(3-fluorophenyl)pyridin-2-yl)vinyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate
  • Ethyl [(1r,3ar,4ar,6r,8ar,9s,9as)-9-{(E)-2-[5-(3-Fluorophenyl)pyridin-2-Yl]ethenyl}-1-Methyl-3-Oxododecahydronaphtho[2,3-C]furan-6-Yl]carbamate
  • Vorapaxar [USAN:INN]
  • Carbamic acid, [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(1E)-2-[5-(3-fluorophen

MDL Number

MFCD16038876

FAQ

What regulatory guidelines apply to Ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]vinyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate (CAS: 618385-01-6)?

Ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]vinyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate (CAS: 618385-01-6) is subject to REACH regulations for chemical registration and safety data sheet requirements. It may also be subject to GHS classification, which includes health, environmental, and physical hazards. FDA and EPA regulations may apply for its use in pharmaceuticals and environmental releases, respectively.

Are there alternatives to Ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]vinyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate (CAS: 618385-01-6) in synthesis?

There are alternative reagents and synthetic methods that can be used in place of Ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]vinyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate (CAS: 618385-01-6). Commonly, chemists may opt for simpler analogs such as ethyl 3-oxo-2,3,4,5-tetrahydro-1H-naphtho[2,1-c]pyran-8-carboxylate or use isomers of similar structures. These alternatives can offer similar functionality with potentially less complexity in synthesis.

What is the market or research trend for Ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]vinyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate (CAS: 618385-01-6)?

The market for Ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]vinyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate (CAS: 618385-01-6) is gradually expanding due to its potential applications in pharmaceutical and agrochemical sectors. Research trends indicate increasing interest in its use as a synthetic intermediate for drug discovery and development. Price trends show fluctuations based on supply and demand, with ongoing exploration of cost-effective synthesis methods to meet market needs.

How should waste containing Ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]vinyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate (CAS: 618385-01-6) be handled?

Waste containing Ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]vinyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate (CAS: 618385-01-6) should be collected and stored in appropriate containers to prevent leakage and contamination. For incineration, ensure that the waste is compatible with the incineration process and that emissions are properly controlled. Professional waste disposal services are recommended for handling and disposing of this waste to ensure compliance with environmental regulations and minimize environmental impact.

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