8-Benzyl-1ah,5ah-nortropan-3-one oxime

CAS

76272-34-9

Catalog Number

ACM76272349

Category

Other Products

Molecular Weight

230.31

Molecular Formula

C₁₄H₁₈N₂O

MSDS COA Spec Sheet

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Specification

Synonyms

8-BENZYL-1AH,5AH-NORTROPAN-3-ONE OXIME;8-BENZYL-3-NORTROPANONE OXIME;8-BENZYL-8-AZABICYCLO[3.2.1]OCTAN-3-ONE OXIME;N-Benzylnortropinone Oxime

IUPAC Name

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine

Canonical SMILES

C1CC2CC(=NO)CC1N2CC3=CC=CC=C3

InChI Key

KFSOYEAOVNOZNU-UHFFFAOYSA-N

Boiling Point

372.216ºC at 760 mmHg

Flash Point

178.91ºC

Density

1.243 g/cm³

Appearance

Pale Green Solid

EC Number

616-314-1

Exact Mass

230.14200

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

28957-72-4

76272-34-9

Reference: [1]Patent: WO2008/84300,2008,A1 .Location in patent: Page/Page column 100; 101

Downstream Synthesis Route 1

76272-34-9

76272-36-1

Reference: [1] Journal of Medicinal Chemistry, 2018, vol. 61, # 11, p. 5020 - 5033
[2] Journal of Heterocyclic Chemistry, 1982, vol. 19, # 3, p. 485 - 488
[3] Patent: WO2008/63600, 2008, A2, . Location in patent: Page/Page column 11-12; 26
[4] ACS Medicinal Chemistry Letters, 2014, vol. 5, # 2, p. 133 - 137
[5] Medicinal Chemistry Research, 2018, vol. 27, # 8, p. 1906 - 1928

Downstream Synthesis Route 2

76272-34-9

76272-36-1

Reference: [1] Journal of Medicinal Chemistry, 2008, vol. 51, # 20, p. 6538 - 6546
[2] Patent: US2011/251192, 2011, A1, . Location in patent: Page/Page column 20