3-METHOXY-5-(TRIFLUOROMETHYL)BENZENEBORONIC ACID

Base Information

• Chemical Name: 3-METHOXY-5-(TRIFLUOROMETHYL)BENZENEBORONIC ACID
• CAS No.: 871332-97-7
• Molecular Formula: C8H8 B F3 O3
• Molecular Weight: 219.956
• Hs Code.: 29310099
• Mol file: 871332-97-7.mol

Synonyms:Boronicacid, [3-methoxy-5-(trifluoromethyl)phenyl]- (9CI);3-Methoxy-5-trifluoromethylbenzeneboronic acid;5-Methoxy-3-trifluoromethylbenzeneboronic acid

Chemical Property of 3-METHOXY-5-(TRIFLUOROMETHYL)BENZENEBORONIC ACID

Chemical Property:

• Vapor Pressure: 0.000152mmHg at 25°C
• Melting Point: 159-162
• Refractive Index: 1.464
• Boiling Point: 318.3°C at 760 mmHg
• Flash Point: 146.3°C
• PSA: 49.69000
• Density: 1.36g/cm³
• LogP: 0.39380
• Storage Temp.: Keep Cold
• Water Solubility.: Sparingly soluble in water 0.42 g/L @ 25°C.

Purity/Quality:

99% ^*data from raw suppliers

3-Methoxy-5-(trifluoromethyl)phenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Methoxy-5-(trifluoromethyl)benzeneboronic acid is used as a pharmaceutical intermediate.

Technology Process of 3-METHOXY-5-(TRIFLUOROMETHYL)BENZENEBORONIC ACID

There total 2 articles about 3-METHOXY-5-(TRIFLUOROMETHYL)BENZENEBORONIC 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:

2-(3-methoxy-5-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (479411-93-3) → 3-methoxy-5-(trifluoromethyl)-phenylboronic acid (871332-97-7)

Guidance literature:

2-(3-methoxy-5-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; With sodium periodate; In tetrahydrofuran; water; for 0.25h;

With hydrogenchloride; In tetrahydrofuran; water; for 4h;

DOI:10.1021/ol062903o

Reference yield:

3-(trifluoromethyl)anisole (454-90-0) → 3-methoxy-5-(trifluoromethyl)-phenylboronic acid (871332-97-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 4,4'-di-tert-butyl-2,2'-bipyridine / [Ir(COD)(OMe)]2 / tetrahydrofuran / 16 h / 80 °C

2.1: sodium periodate / tetrahydrofuran; H₂O / 0.25 h

2.2: HCl / H₂O; tetrahydrofuran / 4 h

With sodium periodate; 4,4'-di-tert-butyl-2,2'-bipyridine; [Ir(COD)(OMe)]2; In tetrahydrofuran; water;

DOI:10.1021/ol062903o

Reference yield: 71.0%

3-methoxy-5-(trifluoromethyl)-phenylboronic acid (871332-97-7) + 3,5-dimethylaminoaniline (108-69-0) → N-(3,5-dimethylphenyl)-3-methoxy-5-trifluoromethylphenylamine

Guidance literature:

With 2,6-dimethylpyridine; air; 1-decanoic acid; copper diacetate; In toluene; at 20 ℃; for 24h;

DOI:10.1021/ol062902w

upstream raw materials:

2-(3-methoxy-5-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

3-(trifluoromethyl)anisole

Downstream raw materials:

ethyl (2E)-3-{5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate

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