2-Methanesulfonylaminophenylboronic acid, pinacol ester

• CAS: 380430-60-4
• Catalog Number: ACM380430604
• Category: Boronic Esters
• Molecular Weight: 297.18
• Molecular Formula: C₁₃H₂₀BNO₄S
• Synonyms: 380430-60-4, N-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanesulfonamide, N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide, 2-METHANESULFONYLAMINOPHENYLBORONIC ACID, PINACOL ESTER, [(2-Methylsulfonyl)aminophenyl]boronic acid, pinacol ester, 2-[(Methylsulphonyl)amino]benzeneboronic acid, pinacol ester, N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulphonamide, SureCN520862, 636045_ALDRICH, AC1N983R, CTK8B7024, MolPort-001-759-525, WT828, ANW-56052, AKOS015949582, AB11227, OR10563, RP07689, AK-39270, KB-24833
• IUPAC Name: N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NS(=O)(=O)C
• InChI Key: ADAOINPTCZWNBZ-UHFFFAOYSA-N
• Boiling Point: 417.2ºC at 760 mmHg
• Melting Point: 130-134ºC(lit.)
• Flash Point: 206.1ºC
• Density: 1.19g/cm³
• Exact Mass: 297.12100
• Hazard Statements: Xn
• H-Bond Acceptor: 5
• H-Bond Donor: 1
• Safety Description: S36
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 2-Methanesulfonylaminophenylboronic acid, pinacol ester?

The molecular formula is C13H20BNO4S.

What is the molecular weight of 2-Methanesulfonylaminophenylboronic acid, pinacol ester?

The molecular weight is 297.2 g/mol.

What is the IUPAC name of 2-Methanesulfonylaminophenylboronic acid, pinacol ester?

The IUPAC name is N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide.

What is the InChI of 2-Methanesulfonylaminophenylboronic acid, pinacol ester?

The InChI is InChI=1S/C13H20BNO4S/c1-12(2)13(3,4)19-14(18-12)10-8-6-7-9-11(10)15-20(5,16)17/h6-9,15H,1-5H3.

What is the InChIKey of 2-Methanesulfonylaminophenylboronic acid, pinacol ester?

The InChIKey is ADAOINPTCZWNBZ-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Methanesulfonylaminophenylboronic acid, pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NS(=O)(=O)C.

What is the CAS number of 2-Methanesulfonylaminophenylboronic acid, pinacol ester?

The CAS number is 380430-60-4.

What is the EC number of 2-Methanesulfonylaminophenylboronic acid, pinacol ester?

The EC number is 626-256-9.

What is the DSSTox Substance ID of 2-Methanesulfonylaminophenylboronic acid, pinacol ester?

The DSSTox Substance ID is DTXSID60402309.

Is 2-Methanesulfonylaminophenylboronic acid, pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Downstream Synthesis Route 1

• 380430-60-4
• 77771-02-9

• 959961-69-4

Reference: [1]St. Jean Jr., David J.; Poon, Steve F.; Schwarzbach, Jamie L.
[Organic Letters, 2007, vol. 9, # 23, p. 4893 - 4896]

* For details of the synthesis route, please refer to the original source to ensure accuracy.