2-Amino-5-fluorophenylboronic acid

Base Information

• Chemical Name: 2-Amino-5-fluorophenylboronic acid
• CAS No.: 1040400-87-0
• Molecular Formula: C6H7BFNO2
• Molecular Weight: 154.936
• Hs Code.: 29310095
• DSSTox Substance ID: DTXSID20590559
• Nikkaji Number: J3.237.013F
• Wikidata: Q82484207
• Mol file: 1040400-87-0.mol

Synonyms:2-Amino-5-fluorophenylboronic acid;1040400-87-0;(2-amino-5-fluorophenyl)boronic acid;2-AMINO-5-FLUOROBENZENEBORONIC ACID;SCHEMBL520500;DTXSID20590559;ISZXCHNOGDNZSI-UHFFFAOYSA-N;2-amino-5-fluorobenzeneboronicacid;AMY29811;MFCD03095362;AKOS006347182;AB13713;2-AMINO-5-FLUOROPHENYLBORONICACID;AS-20142;CS-0063857;D72142;EN300-2991183;A800881

Chemical Property of 2-Amino-5-fluorophenylboronic acid

Chemical Property:

• Boiling Point: 357 °C at 760 mmHg
• Flash Point: 169.7 °C
• PSA: 66.48000
• Density: 1.34 g/cm³
• LogP: -0.33110
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 155.0553868
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

98%min ^*data from raw suppliers

2-Amino-5-fluorophenylboronic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-5-fluorophenylboronic acid

There total 1 articles about 2-Amino-5-fluorophenylboronic acid 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: 78.0%

2-bromo-4-fluoroaniline (1003-98-1) + 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane (25015-63-8) → 4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (1040400-87-0)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; triethylamine; In 1,4-dioxane; for 22h; Reflux;

DOI:10.3390/molecules26113268

Reference yield: 72.0%

5-bromoquinoline (4964-71-0) + 4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (1040400-87-0) → 4-fluoro-2-(quinolin-5-yl)aniline

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate; In 1,2-dimethoxyethane; water; at 80 ℃; for 17h; Inert atmosphere;

DOI:10.3390/molecules26113268

Reference yield:

4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (1040400-87-0) + 1-(4-bromo-phenyl)-3-(2-chloro-benzyl)-1,3-dihydro-benzoimidazol-2-ylideneamine (1352874-26-0) → 4'-[3-(2-chloro-benzyl)-2-imino-2,3-dihydro-benzoimidazol-1-yl]-5-fluoro-biphenyl-2-ylamine (1352872-96-8)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; at 150 ℃; for 0.283333h; Microwave irradiation;

upstream raw materials:

2-bromo-4-fluoroaniline

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

Downstream raw materials:

4'-[3-(2-chloro-benzyl)-2-imino-2,3-dihydro-benzoimidazol-1-yl]-5-fluoro-biphenyl-2-ylamine

Refernces