5-Cyclohexyl-1,3,4-oxadiazol-2-amine

Base Information

• Chemical Name: 5-Cyclohexyl-1,3,4-oxadiazol-2-amine
• CAS No.: 98427-18-0
• Molecular Formula: C8H13 N3 O
• Molecular Weight: 167.211
• Hs Code.: 2934999090
• European Community (EC) Number: 860-857-9
• DSSTox Substance ID: DTXSID40588039
• Wikidata: Q82480523
• Mol file: 98427-18-0.mol

Synonyms:5-cyclohexyl-1,3,4-oxadiazol-2-amine;98427-18-0;SCHEMBL20597965;DTXSID40588039;MFCD09041927;STK503603;AKOS000124143;MCULE-6889319845;5-cyclohexyl-1,3,4-oxadiazol-2-ylamine;LS-02174;DB-155337;EN300-35660;VU0494854-1;G30823;AO-365/43467522;F2182-0002;Z285233834

Chemical Property of 5-Cyclohexyl-1,3,4-oxadiazol-2-amine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.543
• Boiling Point: 316.825°C at 760 mmHg
• Flash Point: 145.411°C
• PSA: 64.94000
• Density: 1.176g/cm³
• LogP: 2.28070
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 167.105862047
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

98%Min ^*data from raw suppliers

5-Cyclohexyl-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: C1CCC(CC1)C2=NN=C(O2)N

Technology Process of 5-Cyclohexyl-1,3,4-oxadiazol-2-amine

There total 3 articles about 5-Cyclohexyl-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: 83.0%

(E)-2-(cyclohexylmethylene)hydrazine-1-carboxamide → 5-cyclohexyl-1,3,4-oxadiazol-2-amine (98427-18-0)

Guidance literature:

(E)-2-(cyclohexylmethylene)hydrazine-1-carboxamide; With sodium acetate; acetic acid;

With bromine; at 20 - 60 ℃; for 1h;

DOI:10.1016/j.ejmech.2018.11.036

Reference yield:

cyclohexanecarbaldehyde (2043-61-0) → 5-cyclohexyl-1,3,4-oxadiazol-2-amine (98427-18-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium acetate / water

1.2: 0.5 h / 20 °C

2.1: sodium acetate; acetic acid

2.2: 1 h / 20 - 60 °C

With sodium acetate; acetic acid; In water;

DOI:10.1016/j.ejmech.2018.11.036

Reference yield:

bromocyane (506-68-3) + cyclohexanecarbohydrazide (38941-47-8) → 5-cyclohexyl-1,3,4-oxadiazol-2-amine (98427-18-0)

Guidance literature:

With methanol;

upstream raw materials:

bromocyane

cyclohexanecarbohydrazide

cyclohexanecarbaldehyde

Downstream raw materials:

1-(5-cyclohexyl-[1,3,4]oxadiazol-2-yl)-3-phenyl-[1,3]diazetidine-2,4-dione

1-(5-cyclohexyl-[1,3,4]oxadiazol-2-yl)-3-phenyl-urea

1-(5-cyclohexyl-[1,3,4]oxadiazol-2-yl)-3,5-diphenyl-biuret

1-cyclohexyl-5-(5-cyclohexyl-[1,3,4]oxadiazol-2-yl)-3-phenyl-biuret

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