2-Tert-butoxycarbonyloxyphenylboronic acid pinacol ester

• CAS: 480424-71-3
• Catalog Number: ACM480424713
• Category: Other
• Molecular Weight: 320.19
• Molecular Formula: C₁₇H₂₅BO₅
• Synonyms: 480424-71-3, 2-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester, Tert-butyl [2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] Carbonate, tert-Butyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxa-borolan-2-yl)phenyl carbonate, 2-t-butoxycarboxyphenylboronic acid, pinacol ester, 2-tert-butoxycarbonyloxyphenylboronic acid, pinacol ester, t-butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate, tert-Butyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbonate, AC1MCNPM, 570222_ALDRICH, CTK8B3898, ANW-43403, AKOS015960065, AB15513, OR10981, FT-0644726, B-3351, A827432, 2-t-Butoxycarboxyphenylboronic acid, pinacol ester,, (2-tert-Butoxycarboxy)benzeneboronic acid, pinacol ester
• IUPAC Name: tert-butyl [2-(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=C2OC(=O)OC(C)(C)C
• InChI Key: JWSZKSKLMRKJHM-UHFFFAOYSA-N
• Boiling Point: 409.2ºC at 760mmHg
• Melting Point: 73-77ºC(lit.)
• Flash Point: 201.3ºC
• Density: 1.08g/cm³
• Exact Mass: 320.18000
• H-Bond Acceptor: 5
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound in the reference?

The molecular formula is C17H25BO5.

What synonyms are associated with the compound in the reference?

The synonyms include Tert-butyl [2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] Carbonate and 2-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester.

What is the molecular weight of the compound?

The molecular weight is 320.2 g/mol.

What is the IUPAC Name of the compound?

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

What is the InChI of the compound?

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

How many hydrogen bond acceptor counts does the compound have?

The compound has 5 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 54Ų.

How many heavy atoms are present in the compound?

There are 23 heavy atoms in the compound.

Is the compound canonicalized?

Yes, the compound is canonicalized.

When was the compound created and last modified?

The compound was created on 2005-07-19 and last modified on 2023-12-02.