Cas no 836671-27-3 (Triphenylene, 2,3,6,7,10,11-hexaphenyl-)

Triphenylene, 2,3,6,7,10,11-hexaphenyl- structure
836671-27-3 structure
Product Name:Triphenylene, 2,3,6,7,10,11-hexaphenyl-
CAS No:836671-27-3
MF:C54H36
MW:684.863654136658
CID:1816412
Update Time:2024-01-23

Triphenylene, 2,3,6,7,10,11-hexaphenyl- Chemical and Physical Properties

Names and Identifiers

    • Triphenylene, 2,3,6,7,10,11-hexaphenyl-
    • 2,3,6,7,10,11-hexakis-phenyltriphenylene
    • Triphenylene,2,3,6,7,10,11-hexaphenyl
    • 2,3,6,7,10,11-Hexaphenyltriphenylene (ACI)
    • HPT
    • Inchi： 1S/C54H36/c1-7-19-37(20-8-1)43-31-49-50(32-44(43)38-21-9-2-10-22-38)52-34-46(40-25-13-4-14-26-40)48(42-29-17-6-18-30-42)36-54(52)53-35-47(41-27-15-5-16-28-41)45(33-51(49)53)39-23-11-3-12-24-39/h1-36H
    • InChI Key： RSWOJEDGRFCGFR-UHFFFAOYSA-N
    • SMILES： C1C=CC(C2C(C3C=CC=CC=3)=CC3C4C(C5C(C=3C=2)=CC(C2C=CC=CC=2)=C(C2C=CC=CC=2)C=5)=CC(C2C=CC=CC=2)=C(C2C=CC=CC=2)C=4)=CC=1

Computed Properties

  • Exact Mass: 684.28200

Experimental Properties

  • PSA: 0.00000
  • LogP: 15.14820

Triphenylene, 2,3,6,7,10,11-hexaphenyl- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Trifluoroacetic acid Catalysts: Copper(II) triflate Solvents: 1,2-Dichloroethane ;  rt → reflux; 8 h, reflux; cooled
1.2 Reagents: Sodium bicarbonate Solvents: Water
Reference
A Trefoil Macrocycle Synthesized by 3-Fold Benzannulation
Yang, Xuejin; et al, Organic Letters, 2018, 20(21), 6952-6956

Production Method 2

Reaction Conditions
1.1 Catalysts: Copper ;  430 K
Reference
Precise Monoselective Aromatic C-H Bond Activation by Chemisorption of Meta-Aryne on a Metal Surface
Fan, Qitang; et al, Journal of the American Chemical Society, 2018, 140(24), 7526-7532

Production Method 3

Reaction Conditions
1.1 Reagents: Methyldicyclohexylamine Catalysts: Cuprous iodide ,  Dichlorobis(triphenylphosphine)palladium Solvents: Tetrahydrofuran ;  2.5 h, 55 °C
2.1 Reagents: Trifluoroacetic acid Catalysts: Copper(II) triflate Solvents: 1,2-Dichloroethane ;  rt → reflux; 8 h, reflux; cooled
2.2 Reagents: Sodium bicarbonate Solvents: Water
Reference
A Trefoil Macrocycle Synthesized by 3-Fold Benzannulation
Yang, Xuejin; et al, Organic Letters, 2018, 20(21), 6952-6956

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Toluene ,  1,4-Dioxane ,  Water ;  3 d, 90 °C
2.1 Catalysts: Copper ;  430 K
Reference
Precise Monoselective Aromatic C-H Bond Activation by Chemisorption of Meta-Aryne on a Metal Surface
Fan, Qitang; et al, Journal of the American Chemical Society, 2018, 140(24), 7526-7532

Production Method 5

Reaction Conditions
1.1 Reagents: Bromine Solvents: 1,2-Dibromoethane ;  1 h, reflux; 24 h, reflux
2.1 Reagents: Potassium acetate Solvents: Dimethylformamide ;  20 h, 80 °C; rt
2.2 Reagents: Potassium hydroxide Solvents: Water ;  rt → 90 °C; 24 h, 90 °C
3.1 Reagents: Pyridinium chlorochromate Solvents: Dichloromethane ;  3 d, rt
4.1 Reagents: Methyldicyclohexylamine Catalysts: Cuprous iodide ,  Dichlorobis(triphenylphosphine)palladium Solvents: Tetrahydrofuran ;  2.5 h, 55 °C
5.1 Reagents: Trifluoroacetic acid Catalysts: Copper(II) triflate Solvents: 1,2-Dichloroethane ;  rt → reflux; 8 h, reflux; cooled
5.2 Reagents: Sodium bicarbonate Solvents: Water
Reference
A Trefoil Macrocycle Synthesized by 3-Fold Benzannulation
Yang, Xuejin; et al, Organic Letters, 2018, 20(21), 6952-6956

Production Method 6

Reaction Conditions
1.1 Reagents: Sodium hydroxide Catalysts: Triphenylphosphine ,  (SP-4-1)-Dichlorobis[1-methyl-3,5-bis(2,4,6-trimethylphenyl)-1H-1,2,3-triazolium… Solvents: 1,4-Dioxane ;  7.5 h, 105 - 110 °C
Reference
Synthesis and structure of trans-bis(1,4-dimesityl-3-methyl-1,2,3-triazol-5-ylidene)palladium(II) dichloride and diacetate. Suzuki-Miyaura coupling of polybromoarenes with high catalytic turnover efficiencies
Shaik, Jeelani Basha; et al, Beilstein Journal of Organic Chemistry, 2013, 9, 698-704

Production Method 7

Reaction Conditions
1.1 Reagents: Pyridinium chlorochromate Solvents: Dichloromethane ;  3 d, rt
2.1 Reagents: Methyldicyclohexylamine Catalysts: Cuprous iodide ,  Dichlorobis(triphenylphosphine)palladium Solvents: Tetrahydrofuran ;  2.5 h, 55 °C
3.1 Reagents: Trifluoroacetic acid Catalysts: Copper(II) triflate Solvents: 1,2-Dichloroethane ;  rt → reflux; 8 h, reflux; cooled
3.2 Reagents: Sodium bicarbonate Solvents: Water
Reference
A Trefoil Macrocycle Synthesized by 3-Fold Benzannulation
Yang, Xuejin; et al, Organic Letters, 2018, 20(21), 6952-6956

Production Method 8

Reaction Conditions
1.1 Reagents: Nitrous acid, 2-methylbutyl ester ,  Iodine Solvents: 1,2-Dichloroethane ,  1,4-Dioxane ;  1 h, reflux; 2 h, reflux; reflux → rt
1.2 Reagents: Sodium thiosulfate Solvents: Water
2.1 Reagents: Sodium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Toluene ,  1,4-Dioxane ,  Water ;  3 d, 90 °C
3.1 Catalysts: Copper ;  430 K
Reference
Precise Monoselective Aromatic C-H Bond Activation by Chemisorption of Meta-Aryne on a Metal Surface
Fan, Qitang; et al, Journal of the American Chemical Society, 2018, 140(24), 7526-7532

Production Method 9

Reaction Conditions
1.1 Reagents: Potassium acetate Solvents: Dimethylformamide ;  20 h, 80 °C; rt
1.2 Reagents: Potassium hydroxide Solvents: Water ;  rt → 90 °C; 24 h, 90 °C
2.1 Reagents: Pyridinium chlorochromate Solvents: Dichloromethane ;  3 d, rt
3.1 Reagents: Methyldicyclohexylamine Catalysts: Cuprous iodide ,  Dichlorobis(triphenylphosphine)palladium Solvents: Tetrahydrofuran ;  2.5 h, 55 °C
4.1 Reagents: Trifluoroacetic acid Catalysts: Copper(II) triflate Solvents: 1,2-Dichloroethane ;  rt → reflux; 8 h, reflux; cooled
4.2 Reagents: Sodium bicarbonate Solvents: Water
Reference
A Trefoil Macrocycle Synthesized by 3-Fold Benzannulation
Yang, Xuejin; et al, Organic Letters, 2018, 20(21), 6952-6956

Production Method 10

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Water ;  rt → 90 °C; 24 h, 90 °C
2.1 Reagents: Pyridinium chlorochromate Solvents: Dichloromethane ;  3 d, rt
3.1 Reagents: Methyldicyclohexylamine Catalysts: Cuprous iodide ,  Dichlorobis(triphenylphosphine)palladium Solvents: Tetrahydrofuran ;  2.5 h, 55 °C
4.1 Reagents: Trifluoroacetic acid Catalysts: Copper(II) triflate Solvents: 1,2-Dichloroethane ;  rt → reflux; 8 h, reflux; cooled
4.2 Reagents: Sodium bicarbonate Solvents: Water
Reference
A Trefoil Macrocycle Synthesized by 3-Fold Benzannulation
Yang, Xuejin; et al, Organic Letters, 2018, 20(21), 6952-6956

Production Method 11

Reaction Conditions
1.1 Solvents: Dimethylformamide ;  20 h, 80 °C
2.1 Reagents: Potassium hydroxide Solvents: Water ;  rt → 90 °C; 24 h, 90 °C
3.1 Reagents: Pyridinium chlorochromate Solvents: Dichloromethane ;  3 d, rt
4.1 Reagents: Methyldicyclohexylamine Catalysts: Cuprous iodide ,  Dichlorobis(triphenylphosphine)palladium Solvents: Tetrahydrofuran ;  2.5 h, 55 °C
5.1 Reagents: Trifluoroacetic acid Catalysts: Copper(II) triflate Solvents: 1,2-Dichloroethane ;  rt → reflux; 8 h, reflux; cooled
5.2 Reagents: Sodium bicarbonate Solvents: Water
Reference
A Trefoil Macrocycle Synthesized by 3-Fold Benzannulation
Yang, Xuejin; et al, Organic Letters, 2018, 20(21), 6952-6956

Production Method 12

Reaction Conditions
1.1 Reagents: Bromine Catalysts: Iron Solvents: Dichloromethane ;  3.5 h, rt; 3 d, rt
1.2 Reagents: Sodium hydroxide Solvents: Water ;  rt; 30 min, rt
2.1 Reagents: Bromine Solvents: 1,2-Dibromoethane ;  1 h, reflux; 24 h, reflux
3.1 Reagents: Potassium acetate Solvents: Dimethylformamide ;  20 h, 80 °C; rt
3.2 Reagents: Potassium hydroxide Solvents: Water ;  rt → 90 °C; 24 h, 90 °C
4.1 Reagents: Pyridinium chlorochromate Solvents: Dichloromethane ;  3 d, rt
5.1 Reagents: Methyldicyclohexylamine Catalysts: Cuprous iodide ,  Dichlorobis(triphenylphosphine)palladium Solvents: Tetrahydrofuran ;  2.5 h, 55 °C
6.1 Reagents: Trifluoroacetic acid Catalysts: Copper(II) triflate Solvents: 1,2-Dichloroethane ;  rt → reflux; 8 h, reflux; cooled
6.2 Reagents: Sodium bicarbonate Solvents: Water
Reference
A Trefoil Macrocycle Synthesized by 3-Fold Benzannulation
Yang, Xuejin; et al, Organic Letters, 2018, 20(21), 6952-6956

Triphenylene, 2,3,6,7,10,11-hexaphenyl- Raw materials

Triphenylene, 2,3,6,7,10,11-hexaphenyl- Preparation Products

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