CID 5703983

Base Information

• Chemical Name: CID 5703983
• CAS No.: 90007-06-0
• Molecular Formula: C₈H₁₀N₂O₂
• Molecular Weight: 166.18
• Hs Code.: 2925290090
• European Community (EC) Number: 823-387-5
• Mol file: 90007-06-0.mol

Synonyms:N'-hydroxy-2-phenoxyethanimidamide;SCHEMBL1581040;90007-06-0

Chemical Property of CID 5703983

Chemical Property:

• Boiling Point: 361.2°Cat760mmHg
• Flash Point: 172.2°C
• PSA: 67.84000
• Density: 1.2g/cm³
• LogP: 1.51210
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

98%min ^*data from raw suppliers

N'-Hydroxy-2-phenoxyacetimidamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCC(=NO)N
• Isomeric SMILES: C1=CC=C(C=C1)OC/C(=N\O)/N

Technology Process of CID 5703983

There total 1 articles about CID 5703983 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: 63.0%

phenoxyacetonitrile (3598-14-9) → N'-hydroxy-2-phenoxyacetimidamide (90007-06-0,925393-50-6)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydrogencarbonate; In ethanol; for 6h; Reflux;

DOI:10.1016/j.tetlet.2018.06.019

Reference yield: 78.0%

4-methyl-benzoic acid methyl ester (99-75-2) + N'-hydroxy-2-phenoxyacetimidamide (90007-06-0,925393-50-6) → 3-(phenoxymethyl)-5-(4-methylphenyl)-1,2,4-oxadiazole

Guidance literature:

With sodium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 4h;

DOI:10.1016/j.tet.2017.01.007

Reference yield: 49.0%

N'-hydroxy-2-phenoxyacetimidamide (90007-06-0,925393-50-6) + cis-5-norbornene-endo-2,3-dicarboxylic anhydride (17812-27-0,853658-14-7) → trans-3-(3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxylic acid

Guidance literature:

With sodium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 20h; diastereoselective reaction;

DOI:10.1002/ejoc.201900843

upstream raw materials:

phenoxyacetonitrile

Refernces

• 1、 Sharonova, Tatyana,Pankrat'eva, Vitalina,Savko, Polyna,Baykov, Sergey,Shetnev, Anton. "Facile room-temperature assembly of the 1,2,4-oxadiazole core from readily available amidoximes and carboxylic acids". supporting information. p. 2824 - 2827. Retrieved 2018/06/13.
• 2、 -. "6-Substituted pyridoindolone derivatives, production and therapeutic use thereof". Page/Page column 21. . Retrieved 2010/11/27.