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

Base Information

• Chemical Name: 5-(4-Ethoxyphenyl)-1,3,4-oxadiazol-2-amine
• CAS No.: 90840-51-0
• Molecular Formula: C10H11 N3 O2
• Molecular Weight: 205.216
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20368295
• Wikidata: Q82154719
• ChEMBL ID: CHEMBL1377084
• Mol file: 90840-51-0.mol

Synonyms:5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-amine;90840-51-0;5-(4-Ethoxy-phenyl)-[1,3,4]oxadiazol-2-ylamine;MLS000081935;CHEMBL1377084;SCHEMBL20703904;DTXSID20368295;HMS2322D17;AOD100102;MFCD03984470;AKOS000198791;SMR000062981;BB 0218519;EN300-05506;SR-01000043238;SR-01000043238-1;Z56914816;F2146-0614

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

Chemical Property:

• Vapor Pressure: 7.32E-06mmHg at 25°C
• Boiling Point: 376.3°Cat760mmHg
• Flash Point: 181.4°C
• PSA: 74.17000
• Density: 1.23g/cm³
• LogP: 2.29870
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 205.085126602
• Heavy Atom Count: 15
• Complexity: 195

Purity/Quality:

NLT 98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C2=NN=C(O2)N

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

There total 3 articles about 5-(4-Ethoxyphenyl)-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:

4-ethoxybenzylidene hydrazinecarboxamide → 4-ethoxyphenyl-1,3,4-oxadiazol-2-amine (90840-51-0)

Guidance literature:

With bromine; sodium acetate; acetic acid; for 1h; Inert atmosphere;

Reference yield:

4-ethoxybenzaldehyde (10031-82-0) → 4-ethoxyphenyl-1,3,4-oxadiazol-2-amine (90840-51-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium acetate / water; ethanol / Inert atmosphere

2: sodium acetate; acetic acid; bromine / 1 h / Inert atmosphere

With bromine; sodium acetate; acetic acid; In ethanol; water;

Reference yield:

1-(4-ethoxy-benzoyl)-3-methyl-isothiosemicarbazide → 4-ethoxyphenyl-1,3,4-oxadiazol-2-amine (90840-51-0)

Guidance literature:

at 180 - 220 ℃;

upstream raw materials:

4-ethoxybenzaldehyde