1-(4-Fluorophenyl)guanidine

Base Information

• Chemical Name: 1-(4-Fluorophenyl)guanidine
• CAS No.: 65783-21-3
• Molecular Formula: C7H8FN3
• Molecular Weight: 153.159
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID40364299
• Nikkaji Number: J1.816.503A
• ChEMBL ID: CHEMBL1160766
• Mol file: 65783-21-3.mol

Synonyms:1-(4-fluorophenyl)guanidine;65783-21-3;N-(4-FLUORO-PHENYL)-GUANIDINE;2-(4-fluorophenyl)guanidine;N-(4-FLUOROPHENYL)GUANIDINE;CHEMBL1160766;N-(4-FLUOROPHENYL)-GUANIDINE;SCHEMBL4029597;DTXSID40364299;Guanidine, N-(4-fluorophenyl)-;AMY27630;BDBM50261065;MFCD04114639;STK164666;STK508766;AKOS002320984;AKOS005455031;SB38161;NCGC00340522-01;CS-0342431;AB01332579-02;A835226;1-(4-Fluorophenyl)guanidine

Chemical Property of 1-(4-Fluorophenyl)guanidine

Chemical Property:

• PSA: 61.90000
• LogP: 2.00410
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 153.07022543
• Heavy Atom Count: 11
• Complexity: 146

Purity/Quality:

99.99%HPLC ^*data from raw suppliers

1-(4-Fluorophenyl)guanidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N=C(N)N)F

Technology Process of 1-(4-Fluorophenyl)guanidine

There total 5 articles about 1-(4-Fluorophenyl)guanidine 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:

C23H20FN3O4 (1610517-94-6) → 1-(4-fluorophenyl)guanidine (65783-21-3)

Guidance literature:

With 10 wt% Pd(OH)2 on carbon; hydrogen; In tetrahydrofuran; ethanol; at 20 ℃; for 16h; under 760.051 Torr;

DOI:10.1016/j.bmcl.2014.04.068 DOI:10.1016/j.bmcl.2014.04.068

Reference yield:

CYANAMID (420-04-2) + 4-fluoroaniline (371-40-4) → 1-(4-fluorophenyl)guanidine (65783-21-3)

Guidance literature:

DOI:10.1016/j.bmcl.2004.06.012

Reference yield:

4-fluoroaniline (371-40-4) → 1-(4-fluorophenyl)guanidine (65783-21-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: CH₂Cl₂ / 14 h / 20 °C

2.1: Rink amide resin; diisopropylcarbodiimide / CH₂Cl₂ / 14 h

2.2: piperidine / dimethylformamide

2.3: TFA / CH₂Cl₂

With Rink amide resin; diisopropyl-carbodiimide; In dichloromethane;

DOI:10.1081/SCC-200026206

upstream raw materials:

CYANAMID

p-fluoroaniline hydrochloride

4-fluoroaniline

C₂₃H₂₀FN₃O₄

Downstream raw materials:

6-ethyl-2-(4-fluorophenylamino)pyrimidin-4-ol

4-ethyl-N-(4-fluorophenyl)-6-(piperidin-1-yl)pyrimidin-2-amine

4-chloro-6-ethyl-N-(4-fluorophenyl)pyrimidin-2-amine

Refernces

• 1、 Blake, James F.,Gaudino, John J.,De Meese, Jason,Mohr, Peter,Chicarelli, Mark,Tian, Hongqi,Garrey, Rustam,Thomas, Allen,Siedem, Christopher S.,Welch, Michael B.,Kolakowski, Gabrielle,Kaus, Robert,Burkard, Michael,Martinson, Matthew,Chen, Huifen,Dean, Brian,Dudley, Danette A.,Gould, Stephen E.,Pacheco, Patricia,Shahidi-Latham, Sheerin,Wang, Weiru,West, Kristina,Yin, Jianping,Moffat, John,Schwarz, Jacob B.. "Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2". . p. 2635 - 2639. Retrieved 2014/06/09.
• 2、 Wang, Shudong,Wood, Gavin,Meades, Christopher,Griffiths, Gary,Midgley, Carol,McNae, Iain,McInnes, Campbell,Anderson, Sian,Jackson, Wayne,Mezna, Mokdad,Yuill, Rhoda,Walkinshaw, Malcolm,Fischer, Peter M.. "Synthesis and biological activity of 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine CDK inhibitors". . p. 4237 - 4240. Retrieved 2007/10/03.