2-Phenyl-1,3,4-oxadiazole

CAS

825-56-9

Catalog Number

ACM825569

Category

Other Products

Molecular Weight

146.14604

Molecular Formula

C8H6N2O

MSDS COA Spec Sheet

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Specification

Synonyms

2-Phenyl-1,3,4-oxadiazole, 2-Fenil-1,3,4-ossadiazolo, NSC94884, STOCK3S-32522, 1,3,4-OXADIAZOLE, 2-PHENYL-, MolPort-000-189-389, NSC 94884, CID13217, 2-Fenil-1,3,4-ossadiazolo [Italian], BRN 0118804, STK408136, ZINC00529072, EC-000.1752, LS-99168, TC-061789, 4-27-00-07140 (Beilstein Handbook Reference), 825-56-9

IUPAC Name

2-phenyl-1,3,4-oxadiazole

Canonical SMILES

C1=CC=C(C=C1)C2=NN=CO2

InChI Key

ZEOMRHKTIYBETG-UHFFFAOYSA-N

Boiling Point

253.8ºC at 760 mmHg

Flash Point

111ºC

Density

1.179g/cm³

Exact Mass

146.04800

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

613-94-5
149-73-5

825-56-9

Reference: [1]Monatshefte fur Chemie,2007,vol. 138,p. 1253 - 1255
[2]Patent: WO2004/14882,2004,A2 .Location in patent: Page 36
[3]Journal of Medicinal Chemistry,2001,vol. 44,p. 1268 - 1285
[4]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 2909 - 2914

Downstream Synthesis Route 1

825-56-9

51039-53-3

Reference: [1] Letters in Drug Design and Discovery, 2013, vol. 10, # 8, p. 783 - 791

Downstream Synthesis Route 2

825-56-9

3004-42-0

Reference: [1] Organic and Biomolecular Chemistry, 2017, vol. 15, # 39, p. 8276 - 8279

Downstream Synthesis Route 3

825-56-9

1483-31-4

Reference: [1] European Journal of Organic Chemistry, 2015, vol. 2015, # 1, p. 77 - 80

Downstream Synthesis Route 4

825-56-9
62-53-3

14331-64-7

Reference: [1]Chemistry of Heterocyclic Compounds,2005,vol. 41,p. 866 - 871
[2]Tetrahedron,2012,vol. 68,p. 4813 - 4819
[3]Dalton Transactions,2019,vol. 48,p. 1892 - 1899
[4]Journal of Materials Chemistry C,2019,vol. 7,p. 2022 - 2028