(Z)-4-Fluoro-N'-hydroxybenzimidamide

Base Information

• Chemical Name: (Z)-4-Fluoro-N'-hydroxybenzimidamide
• CAS No.: 69113-32-2
• Molecular Formula: C₇H₇FN₂O
• Molecular Weight: 154.144
• Hs Code.: 29280090
• European Community (EC) Number: 625-961-9,692-208-9
• Wikidata: Q27468104
• Mol file: 69113-32-2.mol

Synonyms:4-Fluorobenzamidoxime;22179-78-8;69113-32-2;(Z)-4-Fluoro-N'-hydroxybenzimidamide;4-fluoro-n-hydroxybenzimidamide;4-Fluoro-benzamideoxime;p-Fluorobenzamidoxime;STK351271;AKOS000117577;4-Fluoro-N'-hydroxybenzenecarboximidamide #;4-fluoro-N'-hydroxybenzenecarboximidamide, AldrichCPR;Q27468104;ZYB

Chemical Property of (Z)-4-Fluoro-N'-hydroxybenzimidamide

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 92-95 °C(lit.)
• Refractive Index: 1.555
• Boiling Point: 299.815 °C at 760 mmHg
• Flash Point: 135.124 °C
• PSA: 56.11000
• Density: 1.303 g/cm³
• LogP: 1.62050
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• 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%,99%, ^*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
• Isomeric SMILES: C1=CC(=CC=C1/C(=N\O)/N)F
• Uses: 4-Fluorobenzamidoxime ((Z)-4-fluoro-N′-hydroxybenzimidamide) may be used in the synthesis of 2-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)benzyl benzoate, by reaction with 2-(chlorocarbonyl)benzyl benzoate.

Technology Process of (Z)-4-Fluoro-N'-hydroxybenzimidamide

There total 3 articles about (Z)-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: 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

Reference yield:

→ 4-fluoro-N'-hydroxybenzenecarboximidamide (22179-78-8,69113-32-2,1055926-30-1,1164246-18-7)

Guidance literature:

upstream raw materials:

4-fluorobenzonitrile

Downstream raw materials:

4-fluorobenzamidine acetate

C₉H₈ClFN₂O₂

(R)-3-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidine-1-carboxylic acid tert-butyl ester

2-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-ylmethyl]-pyrrolidine-1-carboxylic acid tert-butyl ester

Refernces

• 1、 Xu, Congjun,Han, Yufei,Xu, Sicong,Wang, Ruxin,Yue, Ming,Tian, Yu,Li, Xiaofan,Zhao, Yanfang,Gong, Ping. "Design, synthesis and biological evaluation of new Axl kinase inhibitors containing 1,3,4-oxadiazole acetamide moiety as novel linker". . . Retrieved 2019/12/09.
• 2、 Xu, Li-Li,Wu, Yu-Feng,Wang, Lei,Li, Cui-Cui,Li, Li,Di, Bin,You, Qi-Dong,Jiang, Zheng-Yu. "Structure-activity and structure-property relationships of novel Nrf2 activators with a 1,2,4-oxadiazole core and their therapeutic effects on acetaminophen (APAP)-induced acute liver injury". . p. 1376 - 1394. Retrieved 2018/09/13.