POTASSIUM (4-METHOXYCARBONYLPHENYL)TRIFLUOROBORATE

Base Information

• Chemical Name: POTASSIUM (4-METHOXYCARBONYLPHENYL)TRIFLUOROBORATE
• CAS No.: 705254-34-8
• Molecular Formula: C8H7 B F3 O2 . K
• Molecular Weight: 242.047
• Hs Code.: 2931900090
• Mol file: 705254-34-8.mol

Synonyms:POTASSIUM (4-METHOXYCARBONYLPHENYL)TRIFLUOROBORATE;Potassium(4-methoxycarbonyl)trifluoroborate

Chemical Property of POTASSIUM (4-METHOXYCARBONYLPHENYL)TRIFLUOROBORATE

Chemical Property:

• Melting Point: >300
• PSA: 26.30000
• LogP: 1.52760

Purity/Quality:

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

Potassium 4-(methoxycarbonyl)phenyltrifluoroborate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Potassium 4-(methoxycarbonyl)phenyltrifluoroborate is used as pharmaceutical intermediate.

Technology Process of POTASSIUM (4-METHOXYCARBONYLPHENYL)TRIFLUOROBORATE

There total 8 articles about POTASSIUM (4-METHOXYCARBONYLPHENYL)TRIFLUOROBORATE 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: 93.0%

potassium hydrogenfluoride (1279123-63-5) + tetrahydroxydiboron (13675-18-8) + 4-methoxycarbonylphenyl bromide (619-42-1) → potassium trifluoro(4-(methoxycarbonyl)phenyl)borate (705254-34-8)

Guidance literature:

With PdCl(C₆H₄C₆H₄NH₂)(Cy₂PC₆H₄-2-C₆H₂-2',4',6'-i-Pr₃); Cy₂PC₆H₄-2-C₆H₂-2',4',6'-i-Pr₃; K acetate; In ethanol; aryl bromide reacted with B2(OH)4 in EtOH in presence of catalyst (Pt-complex - ligand) and K acetate at 80°C for 3 h; subjected to aq. workup; treated with KHF2; purified by Soxlet extn.;

DOI:10.1021/ja303181m

Reference yield: 89.0%

Methyl 4-chlorobenzoate (1126-46-1) → potassium trifluoro(4-(methoxycarbonyl)phenyl)borate (705254-34-8)

Guidance literature:

Methyl 4-chlorobenzoate; With tetrahydroxydiboron; 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); N-ethyl-N,N-diisopropylamine; triphenylphosphine; In ethanol; at 20 ℃; for 12h; Inert atmosphere; Sealed tube;

With potassium hydrogen difluoride; In methanol; ethanol; water; at 0 - 20 ℃; for 0.5h;

DOI:10.1021/jo401104y

Reference yield: 87.0%

methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate (905966-40-7) → potassium trifluoro(4-(methoxycarbonyl)phenyl)borate (705254-34-8)

Guidance literature:

With potassium fluoride hydrofluoride; In tetrahydrofuran; for 1h; Inert atmosphere;

DOI:10.1021/ol800832n

upstream raw materials:

methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate

potassium hydrogenfluoride

tetrahydroxydiboron

4-methoxycarbonylphenyl bromide

Downstream raw materials:

4,4'-diphenic acid

methyl 4-hydroxylbenzoate

methyl<4-2H>benzoate

methyl 4-Benzoylbenzoate