Boron dibenzoylmethane difluoride

Base Information

• Chemical Name: Boron dibenzoylmethane difluoride
• CAS No.: 397-85-3
• Molecular Formula: C15H11BF2O2
• Molecular Weight: 272.0544
• NSC Number: 103201
• Nikkaji Number: J3.300.351J
• Mol file: 397-85-3.mol

Synonyms:Boron dibenzoylmethane difluoride;NSC103201;397-85-3;Dibenzoylmethaneboron difluoride;SCHEMBL15189219;SGGDSTGSFUIPBJ-PTNGSMBKSA-N;(Dibenzoylmethanoato)boron difluoride;NSC-103201;(1,3-Diphenyl-1,3-propanedionato)difluoroboron;3-Oxo-1,3-diphenyl-1-propenyl difluoridoborate #;Boron, (1,3-diphenyl-1,3-propanedionato)difluoro-;Boron, difluoro(1,3-diphenyl-1,3-propanedionato)-;(Z)-3-(Difluoroboryloxy)-1,3-diphenyl-2-propene-1-one;Boron, (1,3-diphenyl-1,3-propanedioato-o,o')difluoro-, (t-4)-

Chemical Property of Boron dibenzoylmethane difluoride

Chemical Property:

• Vapor Pressure: 5.02E-05mmHg at 25°C
• Boiling Point: 348.5°C at 760 mmHg
• Flash Point: 164.5°C
• Density: 1.17g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 272.0820161
• Heavy Atom Count: 20
• Complexity: 346

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(OC(=CC(=O)C1=CC=CC=C1)C2=CC=CC=C2)(F)F
• Isomeric SMILES: B(O/C(=C\C(=O)C1=CC=CC=C1)/C2=CC=CC=C2)(F)F

Technology Process of Boron dibenzoylmethane difluoride

There total 2 articles about Boron dibenzoylmethane difluoride 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: 50.0%

1,3-diphenylpropanedione (120-46-7,61346-73-4) → dibenzoylmethanatoboron difluoride (397-85-3)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; for 1.5h;

DOI:10.1016/j.tet.2007.07.004

Reference yield:

→ dibenzoylmethanatoboron difluoride (397-85-3)

Guidance literature:

DOI:10.1021/ic50033a025

Reference yield: 92.0%

1,5-Hexadien (592-42-7) + dibenzoylmethanatoboron difluoride (397-85-3) → 2-But-3-enyl-1,5-diphenyl-pentane-1,5-dione (130319-47-0)

Guidance literature:

In acetonitrile; for 3.5h; Irradiation;

DOI:10.1039/c39900001043

upstream raw materials:

1,3-diphenylpropanedione

Downstream raw materials:

2-((Z)-(1R,8S)-8-Benzyl-cyclooct-4-enyl)-1-phenyl-ethanone

2-((1R,2S)-2-Benzyl-cyclooctyl)-1-phenyl-ethanone

2-tert-Butyl-1,5-diphenyl-pentane-1,5-dione

2-But-3-enyl-1,5-diphenyl-pentane-1,5-dione