3,3-Diphenyl-2-oxa-4-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene

Base Information

• Chemical Name: 3,3-Diphenyl-2-oxa-4-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene
• CAS No.: 59911-25-0
• Molecular Formula: C₁₉H₁₅BO₂
• Molecular Weight: 286.138
• European Community (EC) Number: 637-370-3
• DSSTox Substance ID: DTXSID70399837
• Wikidata: Q82202598
• Mol file: 59911-25-0.mol

Synonyms:59911-25-0;3,3-Diphenyl-2-oxa-4-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene;(2-Hydroxybenzaldehydato-O,O')diphenylboron;2,2-Diphenyl-1-oxa-3-oxonia-2-boratanaphthalene;DTXSID70399837;[2-(Hydroxy-kappaO)benzaldehydato-kappaO](diphenyl)boron;Boron, (2-hydroxybenzaldehydato-O,O')diphenyl-, (T-4)-

Chemical Property of 3,3-Diphenyl-2-oxa-4-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene

Chemical Property:

• Melting Point: 143-145 °C
• PSA: 26.30000
• LogP: 2.68380
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 286.1165099
• Heavy Atom Count: 22
• Complexity: 378

Purity/Quality:

99%min ^*data from raw suppliers

(2-HYDROXYBENZALDEHYDATO-O,O')DIPHENYLBORON 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [B-]1(OC2=CC=CC=C2C=[O+]1)(C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of 3,3-Diphenyl-2-oxa-4-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene

There total 1 articles about 3,3-Diphenyl-2-oxa-4-oxonia-3-boranuidabicyclo[4.4.0]deca-1(10),4,6,8-tetraene 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-Aminoethoxydiphenylborane (524-95-8) + salicylaldehyde (90-02-8) → 2-diphenylboryloxybenzaldehyde (59911-25-0,4963-02-4)

Guidance literature:

In benzene;

DOI:10.1016/S0040-4039(01)89120-6

Reference yield: 88.0%

Quinuclidine (100-76-5) + ethanol (64-17-5) + 2-diphenylboryloxybenzaldehyde (59911-25-0,4963-02-4) → quinuclidinium 4-ethoxy-2,2-diphenyl-1,3-dioxa-2-borata-1,2,3,4-tetrahydronaphthalenate

Guidance literature:

In ethanol; equimolar amts. of B-compd. and quinuclidine, refluxing for 5 min; crystn. on cooling; elem. anal.;

DOI:10.1139/v97-145

Reference yield: 88.0%

1,4-diaza-bicyclo[2.2.2]octane (280-57-9,88935-43-7) + ethanol (64-17-5) + 2-diphenylboryloxybenzaldehyde (59911-25-0,4963-02-4) → 1,4-diazabicyclo[2.2.2]octanium 4-ethoxy-2,2-diphenyl-1,3-dioxa-2-borata-1,2,3,4-tetrahydronaphthalenate

Guidance literature:

In ethanol; equimolar amts. of B-compd. and N-base, refluxing for 5 min; crystn. on cooling; elem. anal.;

DOI:10.1139/v97-145

upstream raw materials:

2-Aminoethoxydiphenylborane

salicylaldehyde

Downstream raw materials:

4-(1'-azoniabicyclo{2.2.2}octanyl)-2,2-diphenyl-2-borata-1,3-dioxa-1,2,3,4-tetrahydronaphthalene