Description

Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (CAS: 171364-80-0) is a high-purity boronic ester derivative widely utilized in organic synthesis and pharmaceutical research. This compound features a pinacol-protected boronate ester group attached to a methyl benzoate moiety, making it an excellent intermediate for Suzuki-Miyaura cross-coupling reactions. With the molecular formula C₁₄H₁₉BO₄, it offers exceptional stability and reactivity under controlled conditions. Ideal for researchers and chemists, this product is rigorously tested for purity (>97%) and consistency, ensuring reliable performance in complex synthetic pathways. Supplied in sealed packaging to prevent moisture degradation, it is a must-have for advanced organoboron chemistry applications.

Properties

• CAS Number: 171364-80-0
• Complexity: 329
• IUPAC Name: methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
• InChI: InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-8-6-10(7-9-11)12(16)17-5/h6-9H,1-5H3
• InChI Key: REIZEQZILPXYKS-UHFFFAOYSA-N
• Exact Mass: 262.1376392
• Molecular Formula: C14H19BO4
• Molecular Weight: 262.11
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)OC
• Topological: 44.8
• Monoisotopic Mass: 262.1376392
• Synonyms: 171364-80-0, Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate, DTXSID10378500, DTXCID60329527, 4-Methoxycarbonylphenylboronic acid pinacol ester, 17136-80-0, 4-Methoxycarbonylphenylboronic acid, pinacol ester, MFCD02179438, 4-(methoxycarbonyl)phenylboronic acid pinacol ester, Methyl4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate, 4-(methoxycarbonyl)benzeneboronic acid pinacol ester, methyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate, 4-Carbomethoxyphenylboronic acid pinacol ester, REIZEQZILPXYKS-UHFFFAOYSA-N, SCHEMBL105161, (4-(METHOXYCARBONYL)PHENYL)BORONIC ACID PINACOL ESTER, methyl4-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)benzoate, SBB063906, 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester, AKOS000283812, AB11131, AS-2266, CS-W000882, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID METHYL ESTER, SY003286, DB-016166, M3057, 4-methoxycarbonylphenylboronic acid pinacolate, 10.14272/REIZEQZILPXYKS-UHFFFAOYSA-N, EN300-336124, 10.14272/REIZEQZILPXYKS-UHFFFAOYSA-N.1, 4-Methoxycarbonylbenzeneboronic acid pinacol ester, doi:10.14272/REIZEQZILPXYKS-UHFFFAOYSA-N, (4-methoxycarbonylphenyl)boronic acid, pinacol ester, doi:10.14272/REIZEQZILPXYKS-UHFFFAOYSA-N.1, 4-Methoxycarbonylphenylboronic acid pinacol ester, 97%, Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2 -yl)benzoate, 2-(4-Methoxycarbonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4-(4,4,5,5-tetramethyl-[1,3,2]dioxa borolan-2-yl)-benzoic acid methyl ester

This compound serves as a key intermediate in the synthesis of arylboronic esters for cross-coupling reactions, enabling the construction of biaryl structures in drug discovery. It is particularly useful in medicinal chemistry for modifying bioactive molecules. Researchers also employ it in material science for developing conjugated polymers and OLED materials. Its stability and reactivity make it suitable for automated synthesis platforms.

Safety and Hazards

GHS Hazard Statements

• H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (75%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (25%)
• Acute Tox. 4 (25%)
• Skin Irrit. 2 (75%)
• Eye Irrit. 2 (75%)
• Acute Tox. 4 (25%)
• STOT SE 3 (75%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.