3-[2-Methoxy-5-(4-methylphenyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene

Base Information

Chemical Name:3-[2-Methoxy-5-(4-methylphenyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
CAS No.:927384-50-7
Molecular Formula:C₂₄H₂₁BN₂O
Molecular Weight:364.255
Hs Code.:
DSSTox Substance ID:DTXSID801120102
Nikkaji Number:J2.428.931A

Synonyms:DTXSID801120102;927384-50-7

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Chemical Property of 3-[2-Methoxy-5-(4-methylphenyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene

Chemical Property:

Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:364.1746935
Heavy Atom Count:28
Complexity:503

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:B1(NC2=CC=CC3=C2C(=CC=C3)N1)C4=C(C=CC(=C4)C5=CC=C(C=C5)C)OC

Technology Process of 3-[2-Methoxy-5-(4-methylphenyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene

There total 2 articles about 3-[2-Methoxy-5-(4-methylphenyl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 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: 99.0%

: 927384-45-0
4-bromo-2-(2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborinyl)-1-methoxybenzene

: 5720-05-8
4-methylphenylboronic acid

: 927384-50-7
3-(2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborinyl)-4-methoxy-4'-methyl-1,1'-biphenyl

Guidance literature:: With cesium fluoride; bis(tri-t-butylphosphine)palladium⁽⁰⁾; In tetrahydrofuran; at 60 ℃; for 4h;
DOI:10.1021/ja067975p

Reference yield:

: 479-27-6
naphthalene-1,8-diamine

: 927384-50-7
3-(2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborinyl)-4-methoxy-4'-methyl-1,1'-biphenyl

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / toluene / Heating

2: 99 percent / CsF / Pd[P(t-Bu)3]2 / tetrahydrofuran / 4 h / 60 °C

With cesium fluoride; bis(tri-t-butylphosphine)palladium⁽⁰⁾; In tetrahydrofuran; toluene; 2: Suzuki-Miyaura reaction;
DOI:10.1021/ja067975p

Reference yield: 99.0%

: 927384-45-0
4-bromo-2-(2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborinyl)-1-methoxybenzene

: 927384-50-7
3-(2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborinyl)-4-methoxy-4'-methyl-1,1'-biphenyl

: 7732-18-5
water

: 927384-56-3
3-(2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborinyl)-4,6'-dimethoxy-4''-methyl-1,1':3',1''-terphenyl

Guidance literature:: With cesium fluoride; bis(tri-t-butylphosphine)palladium⁽⁰⁾; In tetrahydrofuran; water; B compd. reacted with aq. H2SO4 or aq. HCl in THF at room temp., reactedwith Pd complex and CsF in THF at 60°C;
DOI:10.1021/ja067975p