1-(4-Fluorobenzyl)Guanidine

Base Information

• Chemical Name: 1-(4-Fluorobenzyl)Guanidine
• CAS No.: 459-33-6
• Molecular Formula: C₈H₁₀FN₃
• Molecular Weight: 167.186
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID80368913
• ChEMBL ID: CHEMBL120674
• Mol file: 459-33-6.mol

Synonyms:1-(4-Fluorobenzyl)Guanidine;459-33-6;2-[(4-fluorophenyl)methyl]guanidine;N-(4-Fluoro-benzyl)-guanidine;parafluorobenzylguanidine;CHEMBL120674;SCHEMBL4015337;SCHEMBL17351900;DTXSID80368913;DDTYPUJUKWPXSK-UHFFFAOYSA-N;1-[(4-Fluorophenyl)methyl]guanidine;AKOS008987504;NCGC00322453-01;N-[(4-FLUOROPHENYL)METHYL]GUANIDINE;AB01317673-02

Chemical Property of 1-(4-Fluorobenzyl)Guanidine

Chemical Property:

• PSA: 61.90000
• LogP: 1.99970
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 167.08587549
• Heavy Atom Count: 12
• Complexity: 158

Purity/Quality:

98%min ^*data from raw suppliers

N-(4-FLUORO-BENZYL)-GUANIDINE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN=C(N)N)F

Technology Process of 1-(4-Fluorobenzyl)Guanidine

There total 4 articles about 1-(4-Fluorobenzyl)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:

C8H10FN3*H2O3S (1415910-59-6) → 1-(4-fluorobenzyl)guanidine (459-33-6)

Guidance literature:

With sodium hydride; In 1,4-dioxane; N,N-dimethyl-formamide; at 50 - 60 ℃; for 0.333333h; Inert atmosphere;

DOI:10.2174/157340612802084243

Reference yield:

S-Methylisothiourea sulfate (867-44-7,147895-43-0) + para-fluorobenzylamine (140-75-0) → 1-(4-fluorobenzyl)guanidine (459-33-6)

Guidance literature:

In ethanol; Heating;

DOI:10.1021/jm00317a017

Reference yield:

1-chloromethyl-4-fluorobenzene (352-11-4) → 1-(4-fluorobenzyl)guanidine (459-33-6)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) phthalimide, (ii) N₂H₄

upstream raw materials:

S-Methylisothiourea sulfate

para-fluorobenzylamine

1-chloromethyl-4-fluorobenzene

C₈H₁₀FN₃*H₂O₃S