(4-((4-(Trifluoromethoxy)phenoxy)methyl)phenyl)boronic acid

Base Information

• Chemical Name: (4-((4-(Trifluoromethoxy)phenoxy)methyl)phenyl)boronic acid
• CAS No.: 870778-97-5
• Molecular Formula: C14H12BF3O4
• Molecular Weight: 312.053
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID50584643
• Wikidata: Q82476325
• Mol file: 870778-97-5.mol

Synonyms:870778-97-5;(4-((4-(Trifluoromethoxy)phenoxy)methyl)phenyl)boronic acid;4-[4'-(Trifluoromethoxy)phenoxymethyl]phenylboronic acid;[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]boronic acid;(4-{[4-(Trifluoromethoxy)phenoxy]methyl}phenyl)boronic acid;4-(4'-(TRIFLUOROMETHOXY)PHENOXYMETHYL)P&;SCHEMBL9893608;DTXSID50584643;BAJVPURXOFJFRW-UHFFFAOYSA-N;MFCD08276770;AKOS015893185;BP-12115;BS-24127;CS-0175152;F87526;A862876;(4-((4-(Trifluoromethoxy)phenoxy)methyl)phenyl)boronicacid;4-[4''-(Trifluoromethoxy)phenoxymethyl]phenylboronic Acid

Chemical Property of (4-((4-(Trifluoromethoxy)phenoxy)methyl)phenyl)boronic acid

Chemical Property:

• Vapor Pressure: 1.2E-07mmHg at 25°C
• Boiling Point: 415.5°C at 760 mmHg
• Flash Point: 205.1°C
• PSA: 58.92000
• Density: 1.37g/cm³
• LogP: 1.84400
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 312.0780735
• Heavy Atom Count: 22
• Complexity: 325

Purity/Quality:

97% ^*data from raw suppliers

4-[4′-(Trifluoromethoxy)phenoxymethyl]phenylboronic acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)COC2=CC=C(C=C2)OC(F)(F)F)(O)O

Technology Process of (4-((4-(Trifluoromethoxy)phenoxy)methyl)phenyl)boronic acid

There total 3 articles about (4-((4-(Trifluoromethoxy)phenoxy)methyl)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:

1-bromo-4-((4-(trifluoromethoxy)phenoxy)methyl)benzene (1312077-91-0) → 4-((4-(trifluoromethoxy)phenoxy)methyl)phenylboronic acid (870778-97-5)

Guidance literature:

1-bromo-4-((4-(trifluoromethoxy)phenoxy)methyl)benzene; With n-butyllithium; Triisopropyl borate; In tetrahydrofuran; hexane; at -78 ℃; for 3.17h;

With hydrogenchloride; water; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.1021/jm200015a

Reference yield:

4-Trifluoromethoxyphenol (828-27-3) → 4-((4-(trifluoromethoxy)phenoxy)methyl)phenylboronic acid (870778-97-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C

1.2: 80 °C

2.1: n-butyllithium; Triisopropyl borate / tetrahydrofuran; hexane / 3.17 h / -78 °C

2.2: -78 - 20 °C

With n-butyllithium; Triisopropyl borate; sodium hydride; In tetrahydrofuran; hexane; N,N-dimethyl-formamide;

DOI:10.1021/jm200015a

Reference yield:

p-bromobenzyl chloride (589-17-3) → 4-((4-(trifluoromethoxy)phenoxy)methyl)phenylboronic acid (870778-97-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C

1.2: 80 °C

2.1: n-butyllithium; Triisopropyl borate / tetrahydrofuran; hexane / 3.17 h / -78 °C

2.2: -78 - 20 °C

With n-butyllithium; Triisopropyl borate; sodium hydride; In tetrahydrofuran; hexane; N,N-dimethyl-formamide;

DOI:10.1021/jm200015a

upstream raw materials:

1-bromo-4-((4-(trifluoromethoxy)phenoxy)methyl)benzene

4-Trifluoromethoxyphenol

p-bromobenzyl chloride

Downstream raw materials:

8-(4-(4-(trifluoromethoxy)phenoxymethyl)phenyl)-3,4-dihydro-1H-thiopyrano[4,3-b]quinilin-10(5H)-one

6-butyl-2-methyl-7-(2-phenoxyethoxy)-3-(4-((4-(trifluoromethoxy)phenoxy)methyl)phenyl)quinolin-4(1H)-one

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