(4-Methoxy-3-(trifluoromethyl)phenyl)boronic acid

Base Information

• Chemical Name: (4-Methoxy-3-(trifluoromethyl)phenyl)boronic acid
• CAS No.: 149507-36-8
• Molecular Formula: C8H8BF3O3
• Molecular Weight: 219.956
• Hs Code.: 2931900090
• European Community (EC) Number: 801-971-0
• DSSTox Substance ID: DTXSID50590204
• Wikidata: Q72486321
• Mol file: 149507-36-8.mol

Synonyms:149507-36-8;(4-Methoxy-3-(trifluoromethyl)phenyl)boronic acid;4-METHOXY-3-(TRIFLUOROMETHYL)PHENYLBORONIC ACID;4-Methoxy-3-trifluoromethylphenylboronic acid;[4-methoxy-3-(trifluoromethyl)phenyl]boronic acid;(4-METHOXY-3-TRIFLUOROMETHYLPHENYL)BORONIC ACID;4-Methoxy-3-(trifluoromethyl)benzeneboronic acid;MFCD07363790;Boronic acid, B-[4-methoxy-3-(trifluoromethyl)phenyl]-;3-Trifluoromethyl-4-methoxy-phenylboronic acid;Boronic acid, [4-methoxy-3-(trifluoromethyl)phenyl]-;2-Methoxy-3-(trifluoromethyl)-phenylboronicacid;(4-Methoxy-3- trifluoromethylphenyl)boronic acid;(4-Methoxy-3-(trifluoromethyl)phenyl)boronicacid;SCHEMBL22828;DTXSID50590204;AKOS015851800;AB30776;CS-W014757;DS-13517;SY038126;DB-005008;AM20080926;M2839;4-Methoxy-3-trifluoromethylbenzeneboronic acid;4-methoxy-3-trifluoromethyl-phenyl-boronic acid;EN300-343954;A808908;J-501417;4-Methoxy-3-(trifluoromethyl)benzeneboronic acid, 98%;Z1509550070;(4-methoxy-3-trifluoromethylphenyl)boronic acid, AldrichCPR;[4-METHOXY-3-(TRIFLUOROMETHYL)PHENYL]-BORONIC ACID;4-Methoxy-3-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride)

Chemical Property of (4-Methoxy-3-(trifluoromethyl)phenyl)boronic acid

Chemical Property:

• Vapor Pressure: 0.000122mmHg at 25°C
• Melting Point: 198-202 °C
• Refractive Index: 1.464
• Boiling Point: 321.6 °C at 760 mmHg
• PKA: 7.93±0.10(Predicted)
• Flash Point: 148.3 °C
• PSA: 49.69000
• Density: 1.36 g/cm³
• LogP: 0.39380
• Storage Temp.: Keep Cold
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 220.0518588
• Heavy Atom Count: 15
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

4-Methoxy-3-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=C(C=C1)OC)C(F)(F)F)(O)O
• Uses: suzuki reaction

Technology Process of (4-Methoxy-3-(trifluoromethyl)phenyl)boronic acid

There total 2 articles about (4-Methoxy-3-(trifluoromethyl)phenyl)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:

4-bromo-1-methoxy-2-(trifluoromethyl)benzene (1514-11-0) → (4-methoxy-3-(trifluoromethyl)phenyl)boronic acid (149507-36-8)

Guidance literature:

4-bromo-1-methoxy-2-(trifluoromethyl)benzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.333333h;

With Triisopropyl borate; In tetrahydrofuran; hexane; at -78 - 20 ℃;

With water; acetic acid; In tetrahydrofuran; hexane; at 20 ℃;

Reference yield:

Triisopropyl borate (5419-55-6) + 4-bromo-1-methoxy-2-(trifluoromethyl)benzene (1514-11-0) → (4-methoxy-3-(trifluoromethyl)phenyl)boronic acid (149507-36-8)

Guidance literature:

4-bromo-1-methoxy-2-(trifluoromethyl)benzene; With n-butyllithium; In tetrahydrofuran; hexanes; at -78 ℃; for 0.333333h;

Triisopropyl borate; In tetrahydrofuran; hexanes; at -78 ℃; for 0.5h;

With acetic acid; In tetrahydrofuran; hexanes; water; at 20 ℃;

Reference yield: 100.0%

(4-methoxy-3-(trifluoromethyl)phenyl)boronic acid (149507-36-8) + 4-chloro-[1,6]naphthyridine (6861-84-3) → 4-(4-methoxy-3-(trifluoromethyl)phenyl)-1,6-naphthyridine

Guidance literature:

With potassium phosphate; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II); In tetrahydrofuran; at 40 ℃; for 2h; Inert atmosphere; Sealed tube;

upstream raw materials:

4-bromo-1-methoxy-2-(trifluoromethyl)benzene

Triisopropyl borate

Downstream raw materials:

C₁₅H₁₆F₃N₃O₂S

C₂₂H₂₇F₃N₄O₃S

4-amino-6-(4-methoxy-3-trifluoromethyl-phenyl)-3-nitro-pyridine-2-carbonitrile

2-(3-methoxyphenyl)-5-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene

Refernces

• 1、 -. "4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives". Page/Page column 15-16. . Retrieved 2010/11/27.