Description

2,4-Diphenyl-6-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine (CAS: 1269508-31-7) is a high-purity boronate ester-functionalized triazine derivative with the molecular formula C₂₇H₂₆BN₃O₂. This compound features a 1,3,5-triazine core substituted with two phenyl groups and a 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl moiety, making it a versatile intermediate for Suzuki-Miyaura cross-coupling reactions and other boron-mediated transformations. Its stable dioxaborolane protecting group ensures compatibility with a wide range of synthetic conditions. Ideal for pharmaceutical research, materials science, and organic electronics, this compound is supplied as a crystalline solid with >95% purity (HPLC). Store under inert atmosphere at 2-8°C to maintain stability.

Properties

• CAS Number: 1269508-31-7
• Complexity: 605
• IUPAC Name: 2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
• InChI: InChI=1S/C27H26BN3O2/c1-26(2)27(3,4)33-28(32-26)22-17-11-16-21(18-22)25-30-23(19-12-7-5-8-13-19)29-24(31-25)20-14-9-6-10-15-20/h5-18H,1-4H3
• InChI Key: FXHGBACNYDFALU-UHFFFAOYSA-N
• Exact Mass: 435.2118072
• Molecular Formula: C27H26BN3O2
• Molecular Weight: 435.3
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=CC=CC=C5
• Topological: 57.1
• Monoisotopic Mass: 435.2118072
• Synonyms: 1269508-31-7, 2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine, 2,4-Diphenyl-6-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine, 835-890-7, 2-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine, MFCD32062890, FXHGBACNYDFALU-UHFFFAOYSA-N, SCHEMBL10316202, UAC50831, ZB0174, AKOS037651269, CS-16327, SY234730, DB-098315, CS-0095316, D5591, D75704, EN300-26571068, Z4185699027, 3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenylboronic Acid Pinacol Ester, 3-(4,6-Diphenyl-1,3,5-triazine-2-yl)phenylboronic Acid Pinacol Ester, 2-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 2,4-diphenyl-6 – [3 – (4,4,5,5-tetramethyl-1,3,2-dioxaborane-2-yl) phenyl] – 1,3,5-triazine

Application

This boronate ester-functionalized triazine is widely used as a key building block in the synthesis of conjugated polymers and small molecules for organic light-emitting diodes (OLEDs) and organic photovoltaics (OPVs). Its boronate group enables efficient cross-coupling reactions to construct extended π-systems with tailored optoelectronic properties. Researchers also employ it in medicinal chemistry for the development of kinase inhibitors and other bioactive triazine derivatives. The compound’s stability and reactivity make it valuable for high-throughput screening and combinatorial chemistry applications.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)

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