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Structure

5-PHENYL-1,3,4-OXADIAZOL-2-AMINE

CAS
1612-76-6
Catalog Number
ACM1612766
Category
Other Products
Molecular Weight
161.16
Molecular Formula
C8H7N3O

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Specification

Synonyms
TimTec1_001514, 663395_ALDRICH, 2-Amino-5-phenyl-1,3,4-oxadiazole, ZERO/006204, 1,3,4-Oxadiazol-2-amine, 5-phenyl-, 5-Phenyl-1,3,4-oxadiazol-2-amine, 5-Amino-2-phenyl-1,3,4-oxadiazole, NSC 116132, ALBB-006413, CID15363, NSC18327, NSC116132, STK500436, ZINC00043863, ZINC08614564, 1,3,4-OXADIAZOLE, 2-AMINO-5-PHENYL-, 5-phenyl-1,3,4-oxadiazol-2-ylamine, NCGC00174350-01, LS-99078, 2-Fenil-5-amino-1,3,4-ossadiazolo [Italian]
IUPAC Name
5-phenyl-1,3,4-oxadiazol-2-amine
Canonical SMILES
C1=CC=C(C=C1)C2=NN=C(O2)N
InChI Key
CQSFYCBGVMWPCM-UHFFFAOYSA-N
Boiling Point
332.3ºC at 760 mmHg
Flash Point
154.7ºC
Density
1.276 g/cm³
Appearance
WHITE TO TAN POWDER, CRYSTALS OR CRYSTALLINE. POWDER AND/OR CHUNKS
Exact Mass
161.05900
H-Bond Acceptor
4
H-Bond Donor
1

Upstream Synthesis Route 1

  • 5351-66-6
  • 1612-76-6

Reference: [1]Location in patent: experimental part
Chaudhari, Pramod S.; Pathare, Sagar P.; Akamanchi, Krishnacharaya G.
[Journal of Organic Chemistry, 2012, vol. 77, # 8, p. 3716 - 3723]

Upstream Synthesis Route 2

  • 506-68-3
  • 613-94-5
  • 1612-76-6

Reference: [1]Kaupp, Gerd; Schmeyers, Jens; Boy, Juergen
[Chemistry - A European Journal, 1998, vol. 4, # 12, p. 2467 - 2474]

Upstream Synthesis Route 3

  • 1574-10-3
  • 1612-76-6

Reference: [1]Kapoorr, Ritu; Singh, Sachchida N.; Tripathi, Shubhangi; Yadav, Lal Dhar S.
[Synlett, 2015, vol. 26, # 9, p. 1201 - 1206]

Downstream Synthesis Route 1

  • 1612-76-6
  • 51039-53-3

Reference: [1] Tetrahedron Letters, 2004, vol. 45, # 38, p. 7157 - 7161

Downstream Synthesis Route 2

  • 1612-76-6
  • 1483-31-4

Reference: [1] European Journal of Medicinal Chemistry, 2011, vol. 46, # 9, p. 3543 - 3550

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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