5-(3-Nitrophenyl)-1,3,4-oxadiazol-2-amine

Base Information

• Chemical Name: 5-(3-Nitrophenyl)-1,3,4-oxadiazol-2-amine
• CAS No.: 7659-02-1
• Molecular Formula: C8H6N4O3
• Molecular Weight: 206.161
• Hs Code.: 2934999090
• European Community (EC) Number: 870-647-9
• DSSTox Substance ID: DTXSID70350302
• Nikkaji Number: J1.352.567F
• Wikidata: Q82126164
• ChEMBL ID: CHEMBL1896222
• Mol file: 7659-02-1.mol

Synonyms:5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine;7659-02-1;MLS001006907;SMR000384413;2-Amino-5-(3-nitrophenyl)-1,3,4-oxadiazole;cid_676499;CHEMBL1896222;BDBM56749;DTXSID70350302;HMS2765E04;MFCD00469759;AKOS000198790;CS-0307844;EN300-08717;[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]amine;SR-01000512778;SR-01000512778-1;Z56946193

Chemical Property of 5-(3-Nitrophenyl)-1,3,4-oxadiazol-2-amine

Chemical Property:

• Vapor Pressure: 2.5E-07mmHg at 25°C
• Boiling Point: 422°Cat760mmHg
• Flash Point: 209°C
• PSA: 111.49000
• Density: 1.493g/cm³
• LogP: 1.68030
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 206.04399007
• Heavy Atom Count: 15
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

5-(3-Nitrophenyl)-1,3,4-oxadiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(O2)N

Technology Process of 5-(3-Nitrophenyl)-1,3,4-oxadiazol-2-amine

There total 5 articles about 5-(3-Nitrophenyl)-1,3,4-oxadiazol-2-amine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

3-nitro-benzaldehyde semicarbazone (5346-31-6,120445-34-3) → 2-amino-5-(3'-nitrophenyl)-1,3,4-oxadiazole (7659-02-1)

Guidance literature:

With potassium bromate; oxalic acid; potassium bromide; at 20 ℃; for 0.333333h;

DOI:10.1080/00397911.2010.515334

Reference yield:

hydrazine carboxamide (4426-72-6,51433-48-8,57-56-7) + 3-nitrobenzoic acid (121-92-6) → 2-amino-5-(3'-nitrophenyl)-1,3,4-oxadiazole (7659-02-1)

Guidance literature:

hydrazine carboxamide; 3-nitrobenzoic acid; With trichlorophosphate; Reflux;

With sodium hydrogencarbonate;

DOI:10.1016/j.ejmech.2011.04.035

Reference yield:

C16H13N4O5Pol → 2-amino-5-(3'-nitrophenyl)-1,3,4-oxadiazole (7659-02-1)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 40 ℃; for 6h; merrifield resin

DOI:10.1021/acscombsci.5b00140

upstream raw materials:

3-nitro-benzaldehyde semicarbazone

hydrazine carboxamide

3-nitrobenzoic acid

semicarbazide hydrochloride

Downstream raw materials:

2,2,2-Trichloro-N-[5-(3-nitro-phenyl)-[1,3,4]oxadiazol-2-yl]-acetamide

[1,3]dithiolan-2-ylidene-[5-(3-nitro-phenyl)-[1,3,4]oxadiazol-2-yl]-amine

C₈H₄ClN₃O₃

C₂₅H₂₁FN₆O₆