(3,5-Difluorophenyl)(difluoro)borane

Base Information

• Chemical Name: (3,5-Difluorophenyl)(difluoro)borane
• CAS No.: 263243-18-1
• Molecular Formula: C6H3 B F4
• Molecular Weight: 161.894
• DSSTox Substance ID: DTXSID30459365
• Nikkaji Number: J1.264.637B
• Mol file: 263243-18-1.mol

Synonyms:263243-18-1;(3,5-Difluorophenyl)(difluoro)borane;SCHEMBL1493119;DTXSID30459365;(3,5-Difluorophenyl)difluoroborane

Chemical Property of (3,5-Difluorophenyl)(difluoro)borane

Chemical Property:

• PSA: 0.00000
• LogP: 1.59900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 162.0263929
• Heavy Atom Count: 11
• Complexity: 120

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC(=C1)F)F)(F)F

Technology Process of (3,5-Difluorophenyl)(difluoro)borane

There total 3 articles about (3,5-Difluorophenyl)(difluoro)borane 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:

boron trifluoride (7637-07-2) + potassium 3,5-difluorophenyl-trifluoroborate → potassium tetrafluoroborate (14075-53-7) + 3,5-difluorophenyldifluoroborane (263243-18-1)

Guidance literature:

In dichloromethane; (Ar), at -40/-50°C for 15-25 min; degassed (vac., -78°C), phases sepd., solid washed with CH2Cl2, exts. combined; not isolated, detected by NMR;

DOI:10.1016/S0022-328X(99)00690-7

Reference yield:

potassium 3,5-difluorophenyl-trifluoroborate → 3,5-difluorophenyldifluoroborane (263243-18-1)

Guidance literature:

With boron trifluoride; In dichloromethane; at -50 - -40 ℃;

DOI:10.1016/S0022-328X(99)00690-7

Reference yield:

3,5-difluorophenylmagnesium bromide (62351-47-7) → 3,5-difluorophenyldifluoroborane (263243-18-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: B(OMe)3 / diethyl ether / -25 - 20 °C

1.2: 5 percent HCl / diethyl ether

1.3: 58 percent / K[HF₂] / methanol; H₂O / 20 °C

2.1: BF₃ / CH₂Cl₂ / -50 - -40 °C

With Trimethyl borate; boron trifluoride; In diethyl ether; dichloromethane; 1.1: boronation / 1.2: Hydrolysis / 1.3: Fluorination / 2.1: defluorination;

DOI:10.1016/S0022-328X(99)00690-7

upstream raw materials:

3,5-difluorophenylmagnesium bromide

boron trifluoride

Downstream raw materials:

3,5-difluorophenylxenon(II) tetrafluoroborate