(1R,3S,4S)-3-(6-BroMo-1H-benziMidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylic acid 1,1-diMethylethyl ester | CAS No. 1256387-74-2

(1R,3S,4S)-3-(6-BroMo-1H-benziMidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylic acid 1,1-diMethylethyl ester

Basic Information

CAS Number

1256387-74-2

Molecular Formula

C18H22BrN3O2

Molecular Weight

392.3 g/mol

AD

Basic Physical Properties

Boiling Point

554.3±30.0°C at 760 mmHg

Solubility

Insuluble (5.1E-3 g/L) (25 ºC),

CC(C)(C)OC(=O)N1C2CCC(C2)C1C3=NC4=C(N3)C=C(C=C4)Br

InChI

InChI=1S/C18H22BrN3O2/c1-18(2,3)24-17(23)22-12-6-4-10(8-12)15(22)16-20-13-7-5-11(19)9-14(13)21-16/h5,7,9-10,12,15H,4,6,8H2,1-3H3,(H,20,21)/t10-,12+,15-/m0/s1

InChIKey

IODPTNKFQCJTSI-NVBFEUDRSA-N

LogP

4.785900000000004

Topological Polar Surface Area

58.22 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

509

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • (1R,3S,4S)-3-(6-Bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylic acid 1,1-dimethylethyl ester
  • (1R,3S,4S)-tert-Butyl 3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
  • 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-broMo-1H-benziMidazol-2-yl)-, 1,1-diMethylethyl ester,(1R,3S,4S)-
  • (1r,3s,4s)-3-(6-bromo-1h-benzimidazol-2-yl)-2-azabicyclo(2.2.1)heptane-2-carboxylic acid 1,1-dimethylethyl ester
  • Ledipasvir Intermediates
  • tert-butyl (1R,3S,4S)-3-(6-bromo-1H-1,3-benzodiazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
  • (1R,3S,4S)-3-(6-BroMo-1H-benziMidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylic acid 1,1-diMethylethyl ester
  • AC-28972
  • DTXSID701105995
  • A854742
  • I11839
  • CS-M3715
  • (1R,3 S,4S)-tert-butyl 3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
  • DS-19151
  • AKOS027460668
  • 1256387-74-2
  • IODPTNKFQCJTSI-NVBFEUDRSA-N
  • tert-butyl (1R,3S,4S)-3-(5-bromo-1H-1,3-benzodiazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
  • AKOS032949633
  • tert-butyl (1R,3S,4S)-3-(6-broMo-1H-benzo[d]iMidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
  • (1R,3S,4S)-tert-butyl3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
  • 2-Azabicyclo(2.2.1)heptane-2-carboxylic acid, 3-(6-bromo-1H-benzimidazol-2-yl)-, 1,1-dimethylethyl ester, (1R,3S,4S)-
  • tert-butyl (1S,2S,4R)-2-(6-bromo-1H-benzimidazol-2-yl)-3-azabicyclo[2.2.1]heptane-3-carboxylate
  • SCHEMBL2706598
  • (1R,3S,4S)-tert-butyl 3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2-aza-bicyclo[2.2.1]heptane-2-carboxylate;(1R,3S,4S)-tert-Butyl 3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
  • C18H22BrN3O2
  • MFCD28386937
  • AMY12348
  • EC 800-428-5
  • tert-butyl (1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
  • 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-bromo-1H-benzimidazol-2-yl)-, 1,1-dimethylethyl ester, (1R,3S,4S)-

MDL Number

MFCD28386937

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