(4-Chloro-2-fluoro-5-methoxyphenyl)boronic acid

Base Information

• Chemical Name: (4-Chloro-2-fluoro-5-methoxyphenyl)boronic acid
• CAS No.: 153122-60-2
• Molecular Formula: C5H4BClFNO2
• Molecular Weight: 175.3532
• Hs Code.: 2931900090
• European Community (EC) Number: 694-855-2
• DSSTox Substance ID: DTXSID20448809
• Wikidata: Q82267970
• Mol file: 153122-60-2.mol

Synonyms:153122-60-2;(4-Chloro-2-fluoro-5-methoxyphenyl)boronic acid;4-CHLORO-2-FLUORO-5-METHOXYPHENYLBORONIC ACID;Boronic acid, (4-chloro-2-fluoro-5-methoxyphenyl)-;SCHEMBL6176724;DTXSID20448809;GCQRPPPUHXEHJO-UHFFFAOYSA-N;MFCD12912365;AKOS015850114;(+/-)-CGP-12177HYDROCHLORIDE;CS-0061949;FT-0686327;(4-Chloro-2-fluoro-5-methoxyphenyl)boronicacid;1N-902;4-chloro-2-fluoro-5-methoxybenzeneboronic acid;N11811;EN300-7366033;Z1269149450

Chemical Property of (4-Chloro-2-fluoro-5-methoxyphenyl)boronic acid

Chemical Property:

• Boiling Point: 339.193 °C at 760 mmHg
• PKA: 7.71±0.58(Predicted)
• Flash Point: 158.938 °C
• PSA: 49.69000
• Density: 1.511 g/cm³
• LogP: 0.16750
• Storage Temp.: Room temperature.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 204.0160801
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Chloro-2-fluoro-5-methoxyphenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=C(C=C1F)Cl)OC)(O)O

Technology Process of (4-Chloro-2-fluoro-5-methoxyphenyl)boronic acid

There total 2 articles about (4-Chloro-2-fluoro-5-methoxyphenyl)boronic 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:

aqueous hydrogen chloride + 2-chloro-4-fluoro-5-iodo-1-methoxybenzene (153122-59-9) + Trimethyl borate (121-43-7,63156-11-6) → 4-chloro-2-fluoro-5-methoxyphenylboronic acid (153122-60-2)

Guidance literature:

With n-butyllithium; In diethyl ether; hexane;

Reference yield:

2-chloro-4-fluoro-5-iodo-1-methoxybenzene (153122-59-9) + Trimethyl borate (121-43-7,63156-11-6) → 4-chloro-2-fluoro-5-methoxyphenylboronic acid (153122-60-2)

Guidance literature:

With hydrogenchloride; n-butyllithium; In hexane; nitrogen; Petroleum ether;

Reference yield:

2,3-dichloro-5-methylsulfinylpyridine + 4-chloro-2-fluoro-5-methoxyphenylboronic acid (153122-60-2) → 3-Chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methylsulfinylpyridine (203736-52-1)

Guidance literature:

With sodium bicarbonate; tetrakis(triphenylphosphine)palladium ⁽⁰⁾; In tetrahydrofuran; water;

upstream raw materials:

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

Trimethyl borate

Downstream raw materials:

2-(4-chloro-2-fluoro-5-methoxyphenyl)imidazo[1,2-a]pyridine

3-Chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methylsulfinylpyridine

4-(4-chloro-2-fluoro-5-methoxyphenyl)-5-cyano-6-difluoro-methylpyrimidine

2-(2-Fluoro-4-chloro-5-methoxyphenyl-1-yl)-3-chloro-4-amino-5-trifluoromethylpyridine

Refernces

• 1、 -. "Substituted phenylheterocyclic herbicides". . . Retrieved 2008/06/13.