3-(1,3,4-Oxadiazol-2-yl)aniline

Base Information

• Chemical Name: 3-(1,3,4-Oxadiazol-2-yl)aniline
• CAS No.: 5378-35-8
• Molecular Formula: C8H7N3O
• Molecular Weight: 161.163
• Hs Code.: 2934999090
• European Community (EC) Number: 866-708-4
• DSSTox Substance ID: DTXSID10585494
• Wikidata: Q82477468
• Mol file: 5378-35-8.mol

Synonyms:3-(1,3,4-oxadiazol-2-yl)aniline;5378-35-8;3-[1,3,4]Oxadiazol-2-yl-phenylamine;MFCD00099501;Benzenamine, 3-(1,3,4-oxadiazol-2-yl)-;SCHEMBL942003;DTXSID10585494;BNGIMWCROMYOKW-UHFFFAOYSA-N;AKOS000190561;AS-8461;SB37565;AM807164;SY168278;CS-0215925;EN300-31065;F52296;3-(1,3,4-oxadiazol-2-yl)aniline, AldrichCPR;A849111

Chemical Property of 3-(1,3,4-Oxadiazol-2-yl)aniline

Chemical Property:

• PSA: 64.94000
• LogP: 1.90000
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 161.058911855
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

97% ^*data from raw suppliers

3-[1,3,4]Oxadiazol-2-yl-phenylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N)C2=NN=CO2

Technology Process of 3-(1,3,4-Oxadiazol-2-yl)aniline

There total 3 articles about 3-(1,3,4-Oxadiazol-2-yl)aniline 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: 80.1%

meta-aminobenzoic acid (99-05-8,159139-79-4) + N-isocyaniminotriphenylphosphorane (73789-56-7) → 3-(1,3,4-oxadiazol-2-yl)aniline (5378-35-8)

Guidance literature:

In chloroform; at 20 ℃; for 12.25h;

DOI:10.1080/10426500802705537

Reference yield:

2-(3-nitrobenzene)-1,3,4-oxadiazole (5565-72-0) → 4-(1,3,4-oxadiazol-2-yl)aniline (35219-13-7) + 3-(1,3,4-oxadiazol-2-yl)aniline (5378-35-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 1h; under 760 Torr; Ambient temperature;

Reference yield:

3-nitrobenzoic acid hydrazide (618-94-0) → 3-(1,3,4-oxadiazol-2-yl)aniline (5378-35-8)

Guidance literature:

Multi-step reaction with 2 steps

1: xylene / 6.7 h / Heating

2: H₂ / Pd-C / methanol / 1 h / 760 Torr / Ambient temperature

With hydrogen; palladium on activated charcoal; In methanol; xylene;

upstream raw materials:

2-(3-nitrobenzene)-1,3,4-oxadiazole

3-nitrobenzoic acid hydrazide

meta-aminobenzoic acid

N-isocyaniminotriphenylphosphorane

Downstream raw materials:

3-sulfanilylamino-benzoic acid

4-amino-N-(3-[1,3,4]oxadiazol-2-yl-phenyl)-benzenesulfonamide

N-(3-(1,3,4-oxadiazol-2-yl)phenyl)-N-(1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl)-2-(2-methyl-1H-imidazol-1-yl)acetamide

N-(3-(1,3,4-oxadiazol-2-yl)phenyl)-4-bromopicolinamide