N'-hydroxy-4-(trifluoromethyl)pyridine-3-carboximidamide

Base Information

• Chemical Name: N'-hydroxy-4-(trifluoromethyl)pyridine-3-carboximidamide
• CAS No.: 175204-85-0
• Molecular Formula: C7H6F3N3O
• Molecular Weight: 205.14
• Hs Code.: 2933399990
• European Community (EC) Number: 670-990-2
• DSSTox Substance ID: DTXSID301204232
• Mol file: 175204-85-0.mol

Synonyms:4-(Trifluoromethyl)pyridine-3-carboxamide oxime;175204-85-0;N'-hydroxy-4-(trifluoromethyl)pyridine-3-carboximidamide;4-(Trifluoromethyl)pyridine-3-carboxamidoxime;4-(Trifluoromethyl)pyridine-3-carboxyamide oxime;N-Hydroxy-4-(trifluoromethyl)nicotinimidamide;4-(trifluoromethyl)pyridine-3-amidoxime;MFCD00219948;SCHEMBL2471092;HMS559O19;(Z)-N'-hydroxy-4-(trifluoromethyl)pyridine-3-carboximidamide;DTXSID301204232;AMY24755;CCG-54713;AKOS005063985;AKOS025293709;PS-11351;SR-01000643793-1;N-Hydroxy-4-(trifluoromethyl)-3-pyridinecarboximidamide;3-Pyridinecarboximidamide, N-hydroxy-4-(trifluoromethyl)-;4-(trifluoromethyl)pyridine-3-carboxamide oxime, AldrichCPR

Chemical Property of N'-hydroxy-4-(trifluoromethyl)pyridine-3-carboximidamide

Chemical Property:

• Vapor Pressure: 0.00391mmHg at 25°C
• Melting Point: 178-181°C
• Refractive Index: 1.477
• Boiling Point: 361.9 °C at 760 mmHg
• Flash Point: 172.7 °C
• PSA: 71.50000
• Density: 1.52 g/cm³
• LogP: 1.89520
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 205.04629631
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

4-(Trifluoromethyl)pyridine-3-carboxamideOxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,C
• Statements: 20/21/22-36/37/38-34
• Safety Statements: 23-37/39-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=C1C(F)(F)F)C(=NO)N
• Isomeric SMILES: C1=CN=CC(=C1C(F)(F)F)/C(=N/O)/N

Technology Process of N'-hydroxy-4-(trifluoromethyl)pyridine-3-carboximidamide

There total 2 articles about N'-hydroxy-4-(trifluoromethyl)pyridine-3-carboximidamide 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: 47.0%

4-(trifluoromethyl)nicotinonitrile (13600-43-6) → N'-hydroxy-4-(trifluoromethyl)pyridine-3-carboximidamide (175204-85-0)

Guidance literature:

With hydroxylamine hydrochloride; potassium carbonate; N-ethyl-N,N-diisopropylamine; In ethanol; Heating;

DOI:10.3390/molecules27031052

Reference yield: 31.0%

→ N'-hydroxy-4-(trifluoromethyl)pyridine-3-carboximidamide (175204-85-0)

Guidance literature:

Reference yield:

(E)-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]acrylic acid (870839-41-1) + N'-hydroxy-4-(trifluoromethyl)pyridine-3-carboximidamide (175204-85-0) → C21H16F3N5O2 (1046114-57-1)

Guidance literature:

(E)-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]acrylic acid; With 1,1'-carbonyldiimidazole; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

N'-hydroxy-4-(trifluoromethyl)pyridine-3-carboximidamide; With 1,1'-carbonyldiimidazole; In N,N-dimethyl-formamide; at 20 - 160 ℃; Microwave irradiation;

upstream raw materials:

4-(trifluoromethyl)nicotinonitrile

Downstream raw materials:

C₂₁H₁₆F₃N₅O₂

Refernces

• 1、 -. "1,2,4-oxadiazole derivatives and their therapeutic use". Page/Page column 54. . Retrieved 2010/07/08.