4-Fluoro-5-isopropyl-2-methoxyphenylboronic acid

Base Information

• Chemical Name: 4-Fluoro-5-isopropyl-2-methoxyphenylboronic acid
• CAS No.: 875446-29-0
• Molecular Formula: C10H14BFO3
• Molecular Weight: 212.029
• Hs Code.: 2931900090
• European Community (EC) Number: 810-448-6
• DSSTox Substance ID: DTXSID90693642
• Wikidata: Q72473840
• Mol file: 875446-29-0.mol

Synonyms:875446-29-0;4-fluoro-5-isopropyl-2-methoxyphenylboronic acid;(4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid;[4-fluoro-2-methoxy-5-(propan-2-yl)phenyl]boronic acid;(4-fluoro-2-methoxy-5-propan-2-ylphenyl)boronic acid;Boronic acid, [4-fluoro-2-methoxy-5-(1-methylethyl)phenyl]-;4-fluoro-5-isopropyl-2-methoxyphenylboronicacid;SCHEMBL135122;DTXSID90693642;HMRRCUXJGOSJJA-UHFFFAOYSA-N;BCP12755;CS-M3091;MFCD16294183;AKOS016005659;AM85940;GS-6333;AC-27373;F1024;FT-0742332;(4-Fluoro-5-isopropyl-2-methoxyphenyl)boronicacid;A850067;J-515388

Chemical Property of 4-Fluoro-5-isopropyl-2-methoxyphenylboronic acid

Chemical Property:

• Boiling Point: 324.0±52.0 °C(Predicted)
• PKA: 8.69±0.58(Predicted)
• PSA: 49.69000
• Density: 1.15±0.1 g/cm3(Predicted)
• LogP: 0.63750
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 212.1020026
• Heavy Atom Count: 15
• Complexity: 201

Purity/Quality:

98% ^*data from raw suppliers

(4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=C(C=C1OC)F)C(C)C)(O)O
• Uses: (4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid

Technology Process of 4-Fluoro-5-isopropyl-2-methoxyphenylboronic acid

There total 12 articles about 4-Fluoro-5-isopropyl-2-methoxyphenylboronic 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: 98.0%

4-fluoro-2-methoxy-5-(2-propenyl)phenylboronic acid (1383814-83-2) → [4-fluoro-2-methoxy-5-(propan-2-yl)phenyl]boronic acid (875446-29-0)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In methanol; at 20 ℃; for 0.5h; under 1292.9 Torr; Inert atmosphere;

Reference yield: 96.8%

1-bromo-4-fluoro-2-methoxy-5-(propan-2-yl)-benzene (944317-92-4) + Triisopropyl borate (5419-55-6) → [4-fluoro-2-methoxy-5-(propan-2-yl)phenyl]boronic acid (875446-29-0)

Guidance literature:

With lithium diisopropylmagnesium chloride; In toluene; at 0 - 10 ℃; for 2h; Solvent; Reagent/catalyst;

Reference yield: 60.0%

1-fluoro-4-iodo-2-isopropenyl-5-methoxybenzene (875446-57-4) → [4-fluoro-2-methoxy-5-(propan-2-yl)phenyl]boronic acid (875446-29-0)

Guidance literature:

1-fluoro-4-iodo-2-isopropenyl-5-methoxybenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; Inert atmosphere;

With Trimethyl borate; In tetrahydrofuran; hexane; at -78 ℃; for 3h; Inert atmosphere;

DOI:10.1021/jm200484c

upstream raw materials:

1-fluoro-4-iodo-2-isopropenyl-5-methoxybenzene

1-bromo-4-fluoro-2-methoxy-5-(propan-2-yl)-benzene

2-fluoro-4-methoxy-1-(prop-1-en-2-yl)benzene

1-(2-fluoro-4-methoxyphenyl)-1-ethanone

Downstream raw materials:

anacetrapib

(4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)-[1,1'-biphenyl]-2-yl)methanol

(+)-(5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4,4-dimethyl-1,3-oxazolidin-2-one

Refernces

• 1、 -. "Novel synthetic method for (4-fluoro-5-isopropyl-methoxyphenyl)boric acid". . . Retrieved 2018/04/01.
• 2、 -. "PROCESS FOR A CETP INHIBITOR". . . Retrieved 2013/05/22.