4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane

• ChemBase ID: 91673
• Molecular Formular: C11H17BO3
• Molecular Mass: 208.06188
• Monoisotopic Mass: 208.1270748
• SMILES: o1c(ccc1B1OC(C(O1)(C)C)(C)C)C
• Canonical SMILES: Cc1ccc(o1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H17BO3/c1-8-6-7-9(13-8)12-14-10(2,3)11(4,5)15-12/h6-7H,1-5H3
• InChIKey: FNPZFZKLYGWKLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane
• IUPAC Traditional name: 4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane
• Synonyms: 5-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxoborolan-2-yl)furan; 2-(5-Methylfur-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 5-Methylfuran-2-boronic acid, pinacol ester 95%; 4,4,5,5-Tetramethyl-2-(5-methyl-furan-2-yl)-(1,3,2)dioxaborolane; 5-Methyl-2-furanboronic acid pinacol ester; 5-Methylfuran-2-boronic acid pinacol ester; 5-METHYLFURAN-2-BORONIC ACID PINACOL ESTER; 4,4,5,5-四甲基-2-(5-甲基-呋喃-2-基)-(1,3,2)二氧杂戊硼烷; 2-甲基呋喃-5-硼酸频哪醇酯; 5-甲基呋喃-2-硼酸频哪醇酯

Database IDs

• CAS Number: 338998-93-9
• MDL Number: MFCD03094689
• PubChem SID: 162078372; 24885537
• PubChem CID: 2736881

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0418
• LogD (pH = 7.4): 3.0418
• Log P: 3.0418
• Molar Refractivity: 52.6295 cm^3
• Polarizability: 22.636803 Å^3
• Polar Surface Area: 31.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 217°C
• Density: 1.023; 1.023 g/mL at 25 °C
• Refractive Index: 1.4760; n20/D 1.476

Safety Information

• Storage Warning: Irritant/Air Sensitive/Moisture Sensitive/Store under Argon/Keep Cold
• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C11H17BO3

DETAILS

Apollo Scientific Ltd - OR7474

Remainder pinacol

Sigma Aldrich - 680109

Packaging
1, 10 g in glass bottle