8-benzyl-3-exo-(3-isopropyl-5-methyl-4h-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane

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Names

[ CAS No. ]:
423165-13-3

[ Name ]:
8-benzyl-3-exo-(3-isopropyl-5-methyl-4h-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane

[Synonym ]:
8-Azabicyclo[3.2.1]octane, 3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-(phenylmethyl)-, (3-exo)
(3-exo)-8-Benzyl-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
8-Benzyl-3-exo-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
481.5±55.0 °C at 760 mmHg

[ Melting Point ]:
149ºC

[ Molecular Formula ]:
C20H28N4

[ Molecular Weight ]:
324.463

[ Flash Point ]:
245.0±31.5 °C

[ Exact Mass ]:
324.231384

[ PSA ]:
33.95000

[ LogP ]:
2.96

[ Vapour Pressure ]:
0.0±1.2 mmHg at 25°C

[ Index of Refraction ]:
1.649

[ Storage condition ]:
2-8°C

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • N-((1R,3s,5S)-8-Benzyl-8-azabicyclo[3.2.1]octan-3-yl)isobutyramide
  • Acethydrazide
  • hydrazinecarbonylformic acid
  • Benzyl-8-azabicyclo[3.2.1]octan-3-exo-amine
  • N-Benzylnortropinone Oxime
  • tert-butyl (3-exo-8-benzyl-8-azabicyclo[3.2.1]oct-3-yl)carbamate
  • N-Benzyltropinone
  • 3-Oxopentanedioic acid
  • Benzylamine

DownStream

  • (1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo3.2.1octane
  • ((S)-3-[3-(3-ISOPROPYL-5-METHYL-[1,2,4]TRIAZOL-4-YL)-8-AZA-BICYCLO[3.2.1]OCT-8-YL]-1-PHENYL-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER
  • Maraviroc
  • 3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane 4-methylbenzenesulfonate

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%