Methanone, (5-amino-1,2,4-oxadiazol-3-yl)(4-chlorophenyl)-

Base Information

• Chemical Name: Methanone, (5-amino-1,2,4-oxadiazol-3-yl)(4-chlorophenyl)-
• CAS No.: 51807-79-5
• Molecular Formula: C9H6ClN3O2
• Molecular Weight: 223.6158
• DSSTox Substance ID: DTXSID70199753
• Nikkaji Number: J1.380.126F
• Wikidata: Q83072708
• Mol file: 51807-79-5.mol

Synonyms:BRN 0792457;Methanone, (5-amino-1,2,4-oxadiazol-3-yl)(4-chlorophenyl)-;51807-79-5;(5-Amino-1,2,4-oxadizol-3-yl)(4-chlorophenyl)methanone;C9H6ClN3O2;C9-H6-Cl-N3-O2;DTXSID70199753;LS-91116;3-(4-Chlorobenzoyl)-1,2,4-oxadiazole-5-amine

Chemical Property of Methanone, (5-amino-1,2,4-oxadiazol-3-yl)(4-chlorophenyl)-

Chemical Property:

• Vapor Pressure: 1.69E-07mmHg at 25°C
• Boiling Point: 427°Cat760mmHg
• Flash Point: 212.1°C
• Density: 1.48g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 223.0148541
• Heavy Atom Count: 15
• Complexity: 244

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C2=NOC(=N2)N)Cl

Technology Process of Methanone, (5-amino-1,2,4-oxadiazol-3-yl)(4-chlorophenyl)-

There total 4 articles about Methanone, (5-amino-1,2,4-oxadiazol-3-yl)(4-chlorophenyl)- 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: 40.0%

2-(4-chlorophenyl)-3-nitrosoimidazo[1,2-a]pyrimidine (30469-02-4) → 3-(p-chlorobenzoyl)-5-amino-1,2,4-oxadiazole (51807-79-5)

Guidance literature:

With hydrogenchloride; In ethanol; for 1.5h; Heating;

DOI:10.1016/S0040-4020(00)00600-1

Reference yield:

2-(4-chlorophenyl)-3-nitrosoimidazo[1,2-a]pyrimidine (30469-02-4) → 3-(p-chlorobenzoyl)-5-amino-1,2,4-oxadiazole (51807-79-5) + (Z)-3-{[3-(4-chlorobenzoyl)-1,2,4-oxadiazol-5-yl]amino}-2-propenal

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 5h;

DOI:10.1016/S0040-4020(00)00600-1

Reference yield:

(Z)-3-{[3-(4-chlorobenzoyl)-1,2,4-oxadiazol-5-yl]amino}-2-propenal → 3-(p-chlorobenzoyl)-5-amino-1,2,4-oxadiazole (51807-79-5)

Guidance literature:

With hydrogenchloride; In ethanol; for 1h; Heating;

DOI:10.1016/S0040-4020(00)00600-1

upstream raw materials:

2-(4-chlorophenyl)-3-nitrosoimidazo[1,2-a]pyrimidine

Downstream raw materials:

(5-amino-[1,2,4]oxadiazol-3-yl)-(4-chloro-phenyl)-methanol

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