3-Isopropylbenzeneboronic acid

• CAS: 216019-28-2
• Catalog Number: ACM216019282
• Category: Boronic Acids
• Molecular Weight: 164.01
• Molecular Formula: C9H13BO2

Custom Q&A

What is the molecular formula of 3-Isopropylbenzeneboronic acid?

The molecular formula is C9H13BO2.

What is the molecular weight of 3-Isopropylbenzeneboronic acid?

The molecular weight is 164.01 g/mol.

What is the IUPAC name of 3-Isopropylbenzeneboronic acid?

The IUPAC name is (3-propan-2-ylphenyl)boronic acid.

What is the InChI of 3-Isopropylbenzeneboronic acid?

The InChI is InChI=1S/C9H13BO2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7,11-12H,1-2H3.

What is the InChIKey of 3-Isopropylbenzeneboronic acid?

The InChIKey is QSWLFBMVIGQONC-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Isopropylbenzeneboronic acid?

The canonical SMILES is B(C1=CC(=CC=C1)C(C)C)(O)O.

What is the CAS number of 3-Isopropylbenzeneboronic acid?

The CAS number is 216019-28-2.

What is the European Community (EC) number of 3-Isopropylbenzeneboronic acid?

The European Community (EC) number is 681-889-8.

What is the DSSTox Substance ID of 3-Isopropylbenzeneboronic acid?

The DSSTox Substance ID is DTXSID30944201.

What is the topological polar surface area of 3-Isopropylbenzeneboronic acid?

The topological polar surface area is 40.5Ų.

Synthetic Use

Upstream Synthesis Route 1

• 5419-55-6
• 5433-01-2

• 216019-28-2

Reference: [1] Patent: US2010/41713, 2010, A1, . Location in patent: Page/Page column 19-20

Upstream Synthesis Route 2

• 5433-01-2

• 216019-28-2

Reference: [1] Journal of Organic Chemistry, 2006, vol. 71, # 15, p. 5474 - 5481

Downstream Synthesis Route 1

• 15936-44-4
• 216019-28-2

• 911814-61-4

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 5035 - 5038

Downstream Synthesis Route 2

• 911824-20-9
• 216019-28-2

• 911827-03-7

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 5035 - 5038

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