3-(Methylthio)phenylboronic acid pinacolate

• CAS: 710348-63-3
• Catalog Number: ACM710348633
• Category: Boronic Acids
• Molecular Weight: 250.16
• Molecular Formula: C₁₃H₁₉BO₂S
• Synonyms: 710348-63-3, 3-Methylthiophenylboronic acid, pinacol ester, 3-(Methylthio)phenylboronic acid pinacol ester, 3-(METHYLTHIO)PHENYLBORONIC ACID PINACOLATE, 3-(Methylthio)phenylboronic acid, pinacol ester, PubChem20838, SureCN4175515, CTK8B3572, MolPort-002-041-303, ANW-42751, AKOS016001110, AB21550, AK-40436, KB-27645, 3-Methylthiophenylboronic acid, pinacol ester,, B-5404, 2-(3-METHYLTHIOPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-(3-(METHYLTHIO)PHENYL)-1,3,2-DIOXABOROLANE, 4,4,5,5-tetramethyl-2-[3-(methylsulfanyl)phenyl]-1,3,2-dioxaborolane, 1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-[3-(METHYLTHIO)PHENYL]-
• IUPAC Name: 4,4,5,5-tetramethyl-2-(3-methylsulfanylphenyl)-1,3,2-dioxaborolane
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)SC
• InChI Key: SVJUVGVKTGZKCG-UHFFFAOYSA-N
• Boiling Point: 392.681ºC at 760 mmHg
• Flash Point: 191.287ºC
• Density: 1.105g/cm³
• Exact Mass: 316.11500
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 3-(Methylthio)phenylboronic acid pinacolate?

The molecular formula is C13H19BO2S.

What are the synonyms of 3-(Methylthio)phenylboronic acid pinacolate?

The synonyms include 710348-63-3, 4,4,5,5-Tetramethyl-2-(3-(methylthio)phenyl)-1,3,2-dioxaborolane, 3-Methylthiophenylboronic acid pinacol ester, and more.

What is the molecular weight of 3-(Methylthio)phenylboronic acid pinacolate?

The molecular weight is 250.2 g/mol.

What is the IUPAC Name of 3-(Methylthio)phenylboronic acid pinacolate?

The IUPAC Name is 4,4,5,5-tetramethyl-2-(3-methylsulfanylphenyl)-1,3,2-dioxaborolane.

What is the InChI of 3-(Methylthio)phenylboronic acid pinacolate?

The InChI is InChI=1S/C13H19BO2S/c1-12(2)13(3,4)16-14(15-12)10-7-6-8-11(9-10)17-5/h6-9H,1-5H3.

What is the InChIKey of 3-(Methylthio)phenylboronic acid pinacolate?

The InChIKey is SVJUVGVKTGZKCG-UHFFFAOYSA-N.

What is the canonical SMILES of 3-(Methylthio)phenylboronic acid pinacolate?

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

What is the CAS number of 3-(Methylthio)phenylboronic acid pinacolate?

The CAS number is 710348-63-3.

What is the DSSTox Substance ID of 3-(Methylthio)phenylboronic acid pinacolate?

The DSSTox Substance ID is DTXSID00660507.

Is 3-(Methylthio)phenylboronic acid pinacolate canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 100-68-5
• 73183-34-3

• 1072945-09-5
• 710348-63-3
• 190788-58-0

Reference: [1] Angewandte Chemie - International Edition, 2017, vol. 56, # 6, p. 1495 - 1499[2] Angew. Chem., 2017, vol. 129, p. 1517 - 1521,5

Upstream Synthesis Route 2

• 76-09-5

• 710348-63-3

Reference: [1] Chemistry - A European Journal, 2014, vol. 20, # 19, p. 5573 - 5579
[2] Patent: WO2015/82592, 2015, A2, . Location in patent: Page/Page column 90; 91

Upstream Synthesis Route 3

• 76-09-5

• 710348-63-3

Reference: [1] Patent: EP2881398, 2015, A1, . Location in patent: Paragraph 0277

Upstream Synthesis Route 4

• 4867-37-2

• 710348-63-3

Reference: [1]Chemistry - A European Journal,2014,vol. 20,p. 5573 - 5579
[2]Patent: WO2015/82592,2015,A2
[3]Patent: EP2881398,2015,A1