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

Base Information

• Chemical Name: 5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-amine
• CAS No.: 5711-61-5
• Molecular Formula: C9H9N3O2
• Molecular Weight: 191.189
• Hs Code.: 2934999090
• European Community (EC) Number: 626-197-9
• DSSTox Substance ID: DTXSID40350455
• Nikkaji Number: J1.352.566H
• Wikidata: Q82126407
• Mol file: 5711-61-5.mol

Synonyms:5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine;5711-61-5;2-Amino-5-(4-methoxyphenyl)-1,3,4-oxadiazole;MFCD00457972;Cambridge id 5311359;5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-ylamine;SCHEMBL1143809;DTXSID40350455;AOD101311;BBL013688;STK346833;AKOS000123773;AKOS015894722;SY081591;CS-0246009;EN300-31515;5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-amine;12L-739;5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylamine;A924402;AF-960/00445056;2-Amino-5-(4-methoxyphenyl)-1,3,4-oxadiazole, 97%;F1252-0221;Z235538124

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

Chemical Property:

• Vapor Pressure: 1.31E-05mmHg at 25°C
• Melting Point: 245-249℃
• Refractive Index: 1.583
• Boiling Point: 368 °C at 760 mmHg
• Flash Point: 176.3 °C
• PSA: 74.17000
• Density: 1.272g/cm³
• LogP: 1.90860
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 191.069476538
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NN=C(O2)N

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

There total 16 articles about 5-(4-Methoxyphenyl)-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: 92.0%

4-methoxybenzaldehyde semicarbazone (6292-71-3,120445-53-6) → 2-amino-5-(4-methoxyphenyl)-1,3,4-oxadiazole (5711-61-5)

Guidance literature:

With carbon tetrabromide; eosin y; In acetonitrile; at 20 ℃; Irradiation;

DOI:10.1055/s-0034-1380493

Reference yield: 83.0%

1-(4-methoxy-benzoyl)-thiosemicarbazide (833-84-1) → 2-amino-5-(4-methoxyphenyl)-1,3,4-oxadiazole (5711-61-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; diisopropyl-carbodiimide; In acetonitrile; at 40 - 50 ℃; for 24h;

DOI:10.1039/c7nj04720g

Reference yield: 76.0%

bromocyane (506-68-3) + 4-methoxybenzoic acid hydrazide (3290-99-1) → 2-amino-5-(4-methoxyphenyl)-1,3,4-oxadiazole (5711-61-5)

Guidance literature:

In ethanol; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2019.04.022

upstream raw materials:

1-(4-methoxy-benzoyl)-S-methyl-iso thiosemicarbazide

1-(4-methoxy-benzoyl)-thiosemicarbazide

4-methoxybenzaldehyde semicarbazone

4-methoxybenzoic acid hydrazide

Downstream raw materials:

furfurylidene-[5-(4-methoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-amine

[5-(4-methoxy-phenyl)-[1,3,4]oxadiazol-2-ylamino]-methanol

1-(4-Methoxy-benzoyl)-5-carbamoyl-diamino-guanidin

1-[5-(4-methoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-3-p-tolyl-thiourea