2-Chloro-6-fluoro-benzamidine

Base Information

• Chemical Name: 2-Chloro-6-fluoro-benzamidine
• CAS No.: 885963-38-2
• Molecular Formula: C7H6 Cl F N2
• Molecular Weight: 172.589
• DSSTox Substance ID: DTXSID40399602
• Wikidata: Q82202247
• Mol file: 885963-38-2.mol

Synonyms:2-CHLORO-6-FLUORO-BENZAMIDINE;885963-38-2;2-Chloro-6-fluorobenzimidamide;2-chloro-6-fluorobenzenecarboximidamide;2-chloro-6-fluorobenzene-1-carboximidamide;Benzenecarboximidamide,2-chloro-6-fluoro-;SCHEMBL4737570;DTXSID40399602;MFCD05662894;AKOS006242134;SB39600;EN300-1968811

Chemical Property of 2-Chloro-6-fluoro-benzamidine

Chemical Property:

• PSA: 49.87000
• LogP: 2.56320
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.0203541
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-6-fluorobenzene-1-carboximidamide 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-6-fluoro-benzamidine

There total 1 articles about 2-Chloro-6-fluoro-benzamidine 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:

2-chloro-6-fluorobenzonitrile (668-45-1) → 2-chloro-6-fluoro-benzamidine (885963-38-2)

Guidance literature:

2-chloro-6-fluorobenzonitrile; With lithium hexamethyldisilazane;

In water; Acidic conditions;

DOI:10.1016/j.bmcl.2010.09.129

Reference yield: 65.2%

2-chloro-6-fluoro-benzamidine (885963-38-2) + methyl 4-(2-bromoacetyl)benzoate (56893-25-5) → 4-[2-(2-chloro-6-fluoro-phenyl)-1H-imidazol-4-yl]-benzoic acid methyl ester (1038841-55-2)

Guidance literature:

With potassium hydrogencarbonate; In tetrahydrofuran; water; for 48h; Heating / reflux;

Reference yield:

2-bromo-1-(6-bromopyridin-3-yl)ethanone (136592-20-6) + 2-chloro-6-fluoro-benzamidine (885963-38-2) → 2-bromo-5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]pyridine (1254170-77-8)

Guidance literature:

With potassium hydrogencarbonate; In tetrahydrofuran; water; for 3h; Reflux;

DOI:10.1016/j.bmcl.2010.09.129

upstream raw materials:

2-chloro-6-fluorobenzonitrile

Downstream raw materials:

4-[2-(2-chloro-6-fluoro-phenyl)-1H-imidazol-4-yl]-benzoic acid methyl ester

2-bromo-5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]pyridine

C₁₅H₉BrClFN₂

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