3-(Tert-butoxycarbonyloxy)phenylboronic acid pinacol ester

• CAS: 480438-74-2
• Catalog Number: ACM480438742
• Category: Other
• Molecular Weight: 320.19
• Molecular Formula: C₁₇H₂₅BO₅
• Synonyms: 3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester, 480438-74-2, tert-Butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate, AC1MCNPQ, SureCN1318656, 565822_ALDRICH, CTK8B3897, ANW-43402, AKOS015960063, AB15066, OR10982, Tert-butyl [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] Carbonate, FT-0644734, 3-T-BUTOXYCARBOXYPHENYLBORONIC ACID, PINACOL ESTER, 3-TERT-BUTOXYCARBOXYPHENYLBORONIC ACID PINACOL ESTER, tert-butyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate, tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbonate, T-BUTYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL CARBONATE, tert-Butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxa-borolan-2-yl) phenyl carbonate, CARBONIC ACID, 1,1-DIMETHYLETHYL 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL ESTER
• IUPAC Name: tert-butyl [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] carbonate
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OC(=O)OC(C)(C)C
• InChI Key: UPAKXEPDVAHKPP-UHFFFAOYSA-N
• Boiling Point: 412.1ºC at 760 mmHg
• Melting Point: 84-88ºC(lit.)
• Flash Point: 203ºC
• Density: 1.08g/cm³
• Exact Mass: 320.18000
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Safety Description: S22-S24/25

Custom Q&A

What is the PubChem CID for the compound?

The PubChem CID for the compound is 2773955.

What is the molecular formula of the compound?

The molecular formula of the compound is C17H25BO5.

What are some synonyms for the compound?

Some synonyms for the compound include 480438-74-2, 3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester, Tert-butyl [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] Carbonate, and tert-Butyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate.

What is the molecular weight of the compound?

The molecular weight of the compound is 320.2 g/mol.

When was the compound created?

The compound was created on July 19, 2005.

When was the compound last modified?

The compound was last modified on December 2, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is tert-butyl [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] carbonate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C17H25BO5/c1-15(2,3)21-14(19)20-13-10-8-9-12(11-13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3.

What is the InChIKey of the compound?

The InChIKey of the compound is UPAKXEPDVAHKPP-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OC(=O)OC(C)(C)C.