3-Bromo-4-fluorobenzamidoxime

Base Information

• Chemical Name: 3-Bromo-4-fluorobenzamidoxime
• CAS No.: 845866-56-0
• Molecular Formula: C7H6BrFN2O
• Molecular Weight: 233.04
• Hs Code.: 2925290090
• European Community (EC) Number: 674-104-5
• DSSTox Substance ID: DTXSID30430538
• Mol file: 845866-56-0.mol

Synonyms:3-Bromo-4-fluorobenzamidoxime;845866-56-0;3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide;3-Bromo-4-fluoro-N'-hydroxybenzimidamide;SCHEMBL2131620;SCHEMBL8221010;DTXSID30430538;STL096093;AKOS005724097;(E)-3-bromo-4-fluoro-N'-hydroxybenzimidamide;EN300-1291909

Chemical Property of 3-Bromo-4-fluorobenzamidoxime

Chemical Property:

• Melting Point: 82-90°C
• PSA: 58.61000
• LogP: 2.38300
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 231.96475
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

98%min ^*data from raw suppliers

3-BROMO-4-FLUOROBENZAMIDOXIME 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=NO)N)Br)F
• Isomeric SMILES: C1=CC(=C(C=C1/C(=N/O)/N)Br)F

Technology Process of 3-Bromo-4-fluorobenzamidoxime

There total 2 articles about 3-Bromo-4-fluorobenzamidoxime 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:

3-bromo-4-fluorobenzonitrile (79630-23-2) → C7H6BrFN2O (845866-56-0)

Guidance literature:

With hydroxylamine hydrochloride; triethylamine; In ethanol; at 75 ℃; for 24h;

Reference yield:

3-bromo-4-fluorobenzonitrile (79630-23-2) → 3-bromo-4-fluoro-N-hydroxybenzenecarboximidamide (845866-56-0)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydrogencarbonate; In ethanol; Reflux;

Reference yield:

3-cyano-4-isopropoxybenzoic acid (258273-31-3) + 3-bromo-4-fluoro-N-hydroxybenzenecarboximidamide (845866-56-0) → 5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[(1-methylethyl)oxy]benzonitrile (1260021-99-5)

Guidance literature:

3-cyano-4-isopropoxybenzoic acid; With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; In tetrahydrofuran; at 20 ℃; for 0.166667h;

3-bromo-4-fluoro-N-hydroxybenzenecarboximidamide; In tetrahydrofuran; at 20 ℃; for 2h;

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 80 ℃; for 72h;

upstream raw materials:

3-bromo-4-fluorobenzonitrile

Downstream raw materials:

5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[(1-methylethyl)oxy]benzonitrile

Refernces

• 1、 -. "5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS". Page/Page column 45-46. . Retrieved 2011/01/12.