9-(1-Octylnonyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

9-(1-Octylnonyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole Suppliers list
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9-(1-Octylnonyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole Basic information
Product Name:9-(1-Octylnonyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
Synonyms:9-(1-Octylnonyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;9-(1-Octylnonyl)carbazole-2,7-bis(boronic acid pinacol ester);CZ89-2B;2,7-bis (4,4-5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-9-Heptadecanylcarbazole;TMOHC;9-Heptadecanyl2,7-Bis(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)- 9H-carbazole;9-(9-Heptadecanyl)-2,7-bis(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)carbazole;9-(9-Heptadecanyl)-9H-carbazole-2,7-diboronic acid bis(pinacol) ester
CAS:958261-51-3
MF:C41H65B2NO4
MW:657.58
EINECS:
Product Categories:oled materials
Mol File:958261-51-3.mol
9-(1-Octylnonyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole Structure
9-(1-Octylnonyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole Chemical Properties
Melting point 128-130℃
Boiling point 695.7±48.0 °C(Predicted)
density 1.01
storage temp. under inert gas (nitrogen or Argon) at 2-8°C
form powder
color White to Almost white
InChIKeyXMKFCPVHTTWWCK-UHFFFAOYSA-N
SMILESN1(C(CCCCCCCC)CCCCCCCC)C2=C(C=CC(B3OC(C)(C)C(C)(C)O3)=C2)C2=C1C=C(B1OC(C)(C)C(C)(C)O1)C=C2
Safety Information
WGK Germany 3
HS Code 2934.99.4400
Storage Class11 - Combustible Solids
MSDS Information
9-(1-Octylnonyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole Usage And Synthesis
Usessuzuki reaction
Uses 9-(1-Octylnonyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole is an intermidate of OLED material, which is used in the formation of low band gap semiconducting materials for low cost plastic solar cells.
Synthesis
2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

61676-62-8

2,7-Dibromo-9-(1-octylnonyl)-9H-carbazole

955964-73-5

9-(1-Octylnonyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

958261-51-3

The general procedure for the synthesis of 9-(1-octylnonyl)carbazole-2,7-bis(boronic acid pinacol ester) from isopropanol pinacol borate and 2,7-dibromo-9-(1-octylnonyl)-9H-carbazole was as follows: 2,7-dibromo-9-(1-octylnonyl)-9H-carbazole (5.0 g, 9.0 mmol) was placed in a vacuumed round-bottomed flask and evacuated for 4 hours. Anhydrous THF (150 mL) was added to dissolve. The mixture was stirred under argon protection for 2 h, followed by slow dropwise addition of n-butyllithium (2.0 M in hexane, 11.26 mL) at -78 °C. After the dropwise addition, the reaction was continued at -78 °C for 2 hours. Then, isopropanol pinacol borate (5.52 mL) was slowly added and the reaction mixture was gradually warmed to room temperature and the reaction continued with stirring for 40 hours. Upon completion of the reaction, the reaction was quenched with methanol and then extracted with dichloromethane. The organic layer was dried with anhydrous magnesium sulfate (MgSO4), filtered and the solvent was removed by rotary evaporation. The crude product was purified by column chromatography to afford 9-(1-octylnonyl)carbazole-2,7-bis(boronic acid pinacol ester) (Yield: 70%) using ethyl acetate-hexane (1:9 to 9:1) as eluent.

References[1] Macromolecules, 2012, vol. 45, # 21, p. 8658 - 8664
[2] Patent: KR101495152, 2015, B1. Location in patent: Paragraph 0164; 0180-0181
[3] Journal of Polymer Science, Part A: Polymer Chemistry, 2012, vol. 50, # 24, p. 5011 - 5022
[4] Journal of the American Chemical Society, 2012, vol. 134, # 46, p. 19035 - 19042
[5] New Journal of Chemistry, 2011, vol. 35, # 6, p. 1327 - 1334
9-(1-Octylnonyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole Preparation Products And Raw materials
Raw materials2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-->2,7-Dibromo-9-(1-octylnonyl)-9H-carbazole-->Tetrahydrofuran-->Hexane-->n-Butyllithium
Tag:9-(1-Octylnonyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole(958261-51-3) Related Product Information
9-Octyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole N-Octyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole 9-(Eicosan-11-yl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole 9H-?Carbazole, 9-?(1-?dodecyltridecyl)?-?2,?7-?bis(4,?4,?5,?5-?tetramethyl-?1,?3,?2-?dioxaborolan-?2-?yl)?- 9-(2-Ethylhexyl)-2,7-bis(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole 9H-Carbazole, 9-(6-bromohexyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-