Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-(diphenylcarbamoyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate | CAS No. 900161-12-8

Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-(diphenylcarbamoyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate

Basic Information

CAS Number

900161-12-8

Molecular Formula

C29H34N2O5

Molecular Weight

490.6 g/mol

AD

Basic Physical Properties

CCOC(=O)NC1CCC2C(C1)CC3C(C2C(=O)N(C4=CC=CC=C4)C5=CC=CC=C5)C(OC3=O)C

InChI

InChI=1S/C29H34N2O5/c1-3-35-29(34)30-20-14-15-23-19(16-20)17-24-25(18(2)36-28(24)33)26(23)27(32)31(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,18-20,23-26H,3,14-17H2,1-2H3,(H,30,34)/t18-,19+,20-,23-,24-,25-,26+/m1/s1

InChIKey

QIHOOQHZKUMXOB-RBNACLDASA-N

LogP

5.079900000000005

Topological Polar Surface Area

84.94 Ų

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

788

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

  • Vorapaxar
  • [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(Diphenylamino)carbonyl]dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]carbamic acid ethyl ester
  • Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-(diphenylcarbamoyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate
  • ((1r,3ar,4ar,6r,8ar,9s,9as)-9-((diphenylamino)carbonyl)dodecahydro-1-methyl-3-oxonaphtho(2,3-c)furan-6-yl)carbamic acid ethyl ester
  • ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-(diphenylcarbamoyl)-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1
  • Ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-(diphenylcarbamoyl)-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-dec
  • (1R,3aR,4aR,6R,8aR,9S,9aS)-9-(Diphenylamino)carbonyldodecahydro-1-methyl-3-oxonaphtho2,3-cfuran-6-yl-carbamic Acid Ethyl Ester
  • Carbamic acid, [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(diphenylamino)carbonyl]dodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]-, ethyl ester
  • 900161-12-8
  • ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-(diphenylcarbamoyl)-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-6-yl]carbamate
  • DTXSID401101825
  • A1-03408
  • AKOS025293396
  • AC-29301

MDL Number

MFCD30184677

FAQ

What are the physical and chemical properties of Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-(diphenylcarbamoyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate (CAS: 900161-12-8)?

Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-(diphenylcarbamoyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate is a crystalline compound with a molecular weight of approximately 562.35 g/mol. It has low solubility in water but is soluble in organic solvents. It exhibits moderate reactivity and is susceptible to hydrolysis under basic conditions. The compound appears as a white to off-white solid.

How is Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-(diphenylcarbamoyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate (CAS: 900161-12-8) typically synthesized?

Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-(diphenylcarbamoyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate is synthesized via a multi-step process involving the reaction of a suitable starting material with diphenylcarbonyl chloride in the presence of a base. The reaction typically yields a compound with excellent purity and selectivity.

What industries use Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-(diphenylcarbamoyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate (CAS: 900161-12-8)?

Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-(diphenylcarbamoyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate is used in the pharmaceutical industry for the development of certain drug candidates. It also finds use in the polymer industry for specific applications requiring unique chemical functionality.

What precautions should be taken when handling Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-(diphenylcarbamoyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate (CAS: 900161-12-8)?

When handling Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-(diphenylcarbamoyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate materials, and the area should be thoroughly rinsed. Always consult the Safety Data Sheet (SDS) for detailed information on handling procedures.

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