N'-Hydroxy-4-(trifluoromethyl)benzenecarboximidamide

Base Information

• Chemical Name: N'-Hydroxy-4-(trifluoromethyl)benzenecarboximidamide
• CAS No.: 22179-86-8
• Molecular Formula: C8H7F3N2O
• Molecular Weight: 204.152
• Hs Code.: 29280000
• European Community (EC) Number: 673-064-6
• Mol file: 22179-86-8.mol

Synonyms:4-trifluoromethylbenzamidoxime

Chemical Property of N'-Hydroxy-4-(trifluoromethyl)benzenecarboximidamide

Chemical Property:

• Vapor Pressure: 0.000619mmHg at 25°C
• Melting Point: 125-130 °C(lit.)
• Refractive Index: 1.499
• Boiling Point: 297.106 °C at 760 mmHg
• PKA: 13.71±0.50(Predicted)
• Flash Point: 133.485 °C
• PSA: 58.61000
• Density: 1.401 g/cm³
• LogP: 2.50020
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 204.05104734
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

97% ^*data from raw suppliers

4-TrifluoromethylbenzamideOxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-60-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=NO)N)C(F)(F)F
• Isomeric SMILES: C1=CC(=CC=C1/C(=N/O)/N)C(F)(F)F
• Uses: 4-(Trifluoromethyl)benzamidoxime (N-Hydroxy-4-(trifluoromethyl)benzamidine) may be used to synthesize 5-(3-chlorothiophen-2-yl)-3-(4-trifluoromethylphenyl)-1,2,4-oxadiazole, a potential anticancer agent.

Technology Process of N'-Hydroxy-4-(trifluoromethyl)benzenecarboximidamide

There total 9 articles about N'-Hydroxy-4-(trifluoromethyl)benzenecarboximidamide 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: 100.0%

4-CF3C6H4CN (455-18-5) → 4-(trifluoromethyl)benzamidoxime (22179-86-8)

Guidance literature:

With hydroxylamine; In ethanol; water; Reflux;

DOI:10.1002/chem.201603222

Reference yield: 98.0%

4-CF3C6H4CN (455-18-5) → (Z)-N'-hydroxy-4-(trifluoromethyl)benzimidamide (184778-31-2,22179-86-8,1219624-50-6)

Guidance literature:

With hydroxylamine hydrochloride; potassium tert-butylate; In methanol; toluene; at 75 - 80 ℃; for 17h;

DOI:10.1080/00397919608003838

Reference yield: 98.0%

4-CF3C6H4CN (455-18-5) → N-hydroxy-4-(trifluoromethyl)benzimidamide (22179-86-8)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydrogencarbonate; In ethanol; water; at 100 ℃; for 3h;

upstream raw materials:

4-CF₃C₆H₄CN

p-trifluoromethylphenyl bromide

4-(trifluoromethyl)benzaldehyde oxime

4-Trifluoromethylbenzaldehyde

Downstream raw materials:

5-(3,4,5-Trichloro-thiophen-2-yl)-3-(4-trifluoromethyl-phenyl)-[1,2,4]-oxadiazole

3,3'-bis-(4-trifluoromethyl-phenyl)-5,5'-p-phenylene-bis-[1,2,4]oxadiazole

2-(4-trifluoromethylphenyl)-4-methylpyrimidine 3-oxide

(Z)-N'-(2-chloroacetoxy)-4-(trifluoromethyl)benzimidamide