4-Fluorobenzene-1-carboximidamidium

Base Information

• Chemical Name: 4-Fluorobenzene-1-carboximidamidium
• CAS No.: 184778-36-7
• Molecular Formula: C₂H₄O₂*C₇H₇FN₂
• Molecular Weight: 198.197
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID30939894
• Nikkaji Number: J1.817.537A
• Mol file: 184778-36-7.mol

Synonyms:DTXSID30939894;4-Fluorobenzene-1-carboximidamidium;alpha,alpha-Diamino-4-fluorobenzenemethylium

Chemical Property of 4-Fluorobenzene-1-carboximidamidium

Chemical Property:

• PSA: 87.17000
• LogP: 2.00070
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 139.06715143
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99%+ ^*data from raw suppliers

4-FLUOROBENZAMIDINE ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=[NH2+])N)F

Technology Process of 4-Fluorobenzene-1-carboximidamidium

There total 2 articles about 4-Fluorobenzene-1-carboximidamidium 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:

4-fluorobenzonitrile (1194-02-1,143234-87-1) → 4-fluorobenzamidine acetate (184778-36-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / NH₂OH*HCl, potassium tert-butoxide / methanol; toluene / 17 h / 70 - 80 °C

2: 1.) Ac₂O, 2.) H₂ / 2.) Pd-C

With hydroxylamine hydrochloride; potassium tert-butylate; hydrogen; acetic anhydride; palladium on activated charcoal; In methanol; toluene;

DOI:10.1080/00397919608003838

Reference yield:

acetic acid (64-19-7,77671-22-8) + (Z)-4-fluoro-N'-hydroxybenzimidamide (22179-78-8,69113-32-2,1055926-30-1,1164246-18-7) → 4-fluorobenzamidine acetate (184778-36-7)

Guidance literature:

With hydrogen; acetic anhydride; palladium on activated charcoal; Yield given. Multistep reaction;

DOI:10.1080/00397919608003838

upstream raw materials:

acetic acid

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

4-fluorobenzonitrile