4-Fluoro-N'-hydroxybenzimidamide

Base Information

• Chemical Name: 4-Fluoro-N'-hydroxybenzimidamide
• CAS No.: 22179-78-8
• Molecular Formula: C7H7FN2O
• Molecular Weight: 154.144
• Hs Code.: 2925290090
• European Community (EC) Number: 625-961-9,692-208-9
• DSSTox Substance ID: DTXSID20988836
• Nikkaji Number: J2.275.420C
• Mol file: 22179-78-8.mol

Synonyms:4-Fluorobenzamidoxime;22179-78-8;69113-32-2;4-fluoro-n-hydroxybenzimidamide;4-fluoro-N-hydroxybenzene-1-carboximidamide;4-Fluoro-N'-hydroxybenzimidamide;4-Fluoro-benzamideoxime;(Z)-4-fluoro-N'-hydroxybenzamidine;(E)-4-fluoro-N'-hydroxybenzimidamide;(Z)-4-Fluoro-N'-hydroxybenzimidamide;4-fluoro-N'-hydroxybenzene-1-carboximidamide;N-hydroxy-4-fluoro-benzamidine;4-Fluoro-N'-hydroxybenzamidine;N'-Hydroxy-4-fluorobenzamidine;4-fluoro-N-hydroxybenz-imidamide;DTXSID20988836;BCP27208;(E)-4-fluoro-N-hydroxybenzimidamide;(Z)-4-fluoro-N-hydroxybenzimidamide;4-fluoro-N-hydroxybenzenecarboximidamide;FT-0638195;FT-0649402

Chemical Property of 4-Fluoro-N'-hydroxybenzimidamide

Chemical Property:

• Melting Point: 92-95 °C(lit.)
• Boiling Point: 299.8 °C at 760 mmHg
• PKA: 6.80±0.69(Predicted)
• Flash Point: 135.1 °C
• PSA: 58.61000
• Density: 1.3 g/cm³
• LogP: 1.62050
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.05424101
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

98%min ^*data from raw suppliers

4-Fluoro-N''-hydroxybenzenecarboximidamide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=NO)N)F
• Uses: 4-Fluorobenzamidoxime is used as building block for pharmaceutical, agrochemical, advanced materials etc.

Technology Process of 4-Fluoro-N'-hydroxybenzimidamide

There total 8 articles about 4-Fluoro-N'-hydroxybenzimidamide 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-fluorobenzonitrile (1194-02-1,143234-87-1) → 4-fluoro-benzamidoxime (22179-78-8)

Guidance literature:

With hydroxylamine; In ethanol; water; Reflux;

DOI:10.1002/chem.201603222

Reference yield: 92.0%

4-fluorobenzonitrile (1194-02-1,143234-87-1) → 4-fluoro-N-hydroxybenzimidamide (22179-78-8,69113-32-2,1055926-30-1,1164246-18-7)

Guidance literature:

With hydroxylamine; In ethanol; water; at 20 ℃; Reflux;

DOI:10.1002/adsc.201600913

Reference yield: 90.0%

4-fluorobenzonitrile (1194-02-1,143234-87-1) → (Z)-4-fluoro-N'-hydroxybenzimidamide (22179-78-8,69113-32-2,1055926-30-1,1164246-18-7)

Guidance literature:

With hydroxylamine hydrochloride; potassium tert-butylate; In methanol; toluene; at 70 - 80 ℃; for 17h;

DOI:10.1080/00397919608003838

upstream raw materials:

4-fluorobenzonitrile

1-Bromo-4-fluorobenzene

4-fluorobenzaldehyde

4-fluorobenzaldoxime

Downstream raw materials:

3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carbohydrazide

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-propionic acid

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

3-(4-fluorophenyl)-N-isopropyl-1,2,4-oxadiazol-5-amine

Refernces

• 1、 Agrawal, Brijmohan R.,Farooqui, Mazahar,Khandebharad, Amol U.,Kulkarni, Pravin S.,Sarda, Swapnil R.. "Synthesis and Biological Screening of Novel 5-(5-Aryl-1-phenyl-1H-pyrazol-3-yl)-3-aryl-1,2,4-oxadiazole Derivatives". . p. 209 - 215. Retrieved 2022/01/06.
• 2、 Akbarzadeh, Tahmineh,Hariri, Roshanak,Nazari, Maryam,Rezaee, Elham,Tabatabai, Sayyed Abbas. "Novel 1,2,4-oxadiazole derivatives as selective butyrylcholinesterase inhibitors: Design, synthesis, and biological evaluation". . p. 907 - 921. Retrieved 2021/06/09.