N'-hydroxy-2-(4-nitrophenyl)ethanimidamide

Base Information

• Chemical Name: N'-hydroxy-2-(4-nitrophenyl)ethanimidamide
• CAS No.: 42191-47-9
• Molecular Formula: C8H9 N3 O3
• Molecular Weight: 195.178
• NSC Number: 209072
• DSSTox Substance ID: DTXSID40962355
• Mol file: 42191-47-9.mol

Synonyms:42191-47-9;N'-hydroxy-2-(4-nitrophenyl)ethanimidamide;BENZENEETHANIMIDAMIDE,N-HYDROXY-4-NITRO-;(1Z)-N'-hydroxy-2-(4-nitrophenyl)ethanimidamide;BENZENEETHANIMIDAMIDE, N-HYDROXY-4-NITRO-;NSC209072;SCHEMBL12402233;HMS561P13;DTXSID40962355;STL430413;AKOS037479250;N-Hydroxy(4-nitrophenyl)ethanimidamide;NSC-209072;(Z)-N'-HYDROXY-2-(4-NITROPHENYL)ETHANIMIDAMIDE

Chemical Property of N'-hydroxy-2-(4-nitrophenyl)ethanimidamide

Chemical Property:

• Boiling Point: 450.1°Cat760mmHg
• Flash Point: 226°C
• PSA: 101.93000
• Density: 1.42g/cm³
• LogP: 2.10720
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 195.06439116
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

BENZENEETHANIMIDAMIDE,N-HYDROXY-4-NITRO- 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=NO)N)[N+](=O)[O-]
• Isomeric SMILES: C1=CC(=CC=C1C/C(=N/O)/N)[N+](=O)[O-]

Technology Process of N'-hydroxy-2-(4-nitrophenyl)ethanimidamide

There total 2 articles about N'-hydroxy-2-(4-nitrophenyl)ethanimidamide 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: 94.6%

4-Nitrophenylacetonitrile (555-21-5,34512-13-5,174848-08-9) → N'-hydroxy-2-(4-nitrophenyl)ethanimidamide (42191-47-9)

Guidance literature:

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

DOI:10.1002/jhet.656

Reference yield: 27.0%

4-Nitrophenylacetonitrile (555-21-5,34512-13-5,174848-08-9) → N-hydroxy-2-(4-nitrophenyl)acetamidine (42191-47-9)

Guidance literature:

With hydroxylamine hydrochloride; potassium carbonate; In ethanol; Heating;

DOI:10.1016/0223-5234(93)90115-U

Reference yield: 89.0%

N'-hydroxy-2-(4-nitrophenyl)ethanimidamide (42191-47-9) + isatoic anhydride (118-48-9) → 2-(4-nitrobenzyl)quinazolin-4(3H)-one (900490-03-1)

Guidance literature:

With iron(III) chloride; In 1,4-dioxane; at 80 ℃; for 4h;

DOI:10.1055/s-0033-1340786

upstream raw materials:

4-Nitrophenylacetonitrile

Downstream raw materials:

5-methyl-3-(4-nitrobenzyl)-[1,2,4]oxadiazole

(D,L)-3-(4-nitrobenzyl)-5-(2-phenyl-1-tert-butyloxycarbonylaminoethyl)-1,2,4-oxadiazole

N-cyclohexyl-3-(4-nitrobenzyl)-1,2,4-oxadiazol-5-amine

C₁₂H₁₄N₄O₃