Description

2-(4-(Difluoromethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS No. 887757-48-4) is a high-purity boronic ester derivative designed for advanced synthetic applications in pharmaceutical and materials research. With the molecular formula C₁₃H₁₇BF₂O₃, this compound features a difluoromethoxy-substituted phenyl ring coupled with a stable dioxaborolane moiety, making it an excellent precursor for Suzuki-Miyaura cross-coupling reactions. Its rigid structure and electron-withdrawing difluoromethoxy group enhance reactivity in aryl-aryl bond formations. Ideal for researchers seeking precision in boronic acid derivatives, this product is rigorously tested for purity and stability, ensuring reliable performance in complex organic syntheses.

Properties

• CAS Number: 887757-48-4
• Complexity: 299
• IUPAC Name: 2-[4-(difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• InChI: InChI=1S/C13H17BF2O3/c1-12(2)13(3,4)19-14(18-12)9-5-7-10(8-6-9)17-11(15)16/h5-8,11H,1-4H3
• InChI Key: BPFSJXBWEVRJFH-UHFFFAOYSA-N
• Exact Mass: 270.1238809
• Molecular Formula: C13H17BF2O3
• Molecular Weight: 270.08
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC(F)F
• Topological: 27.7
• Monoisotopic Mass: 270.1238809
• Synonyms: 887757-48-4, 2-(4-(Difluoromethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 2-[4-(difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, DTXSID50621820, DTXCID40572574, 848-276-9, 4-DIFLUOROMETHOXYPHENYLBORONIC ACID PINACOL ESTER, 4-(Difluoromethoxy)phenylboronic acid pinacol ester, MFCD09878543, SCHEMBL251345, TQU0316, (4-(DIFLUOROMETHOXY)PHENYL)BORONIC ACID PINACOL ESTER, XH0445, AKOS015999402, AB53951, DS-17696, FD103331, CS-0139514, EN300-1726324, Z1336746055, 1,3,2-Dioxaborolane,2-[4-(difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-, 2-(4-difluoromethoxyphenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane, difluoromethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl ether

Application

This compound serves as a versatile intermediate in the synthesis of fluorinated aromatic compounds, particularly in pharmaceutical development where difluoromethoxy groups impart metabolic stability. It is widely used in Suzuki-Miyaura cross-coupling reactions to construct biaryl scaffolds for drug candidates and functional materials. Researchers also employ it in the preparation of boron-containing probes for chemical biology studies.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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