Isopropoxyboronic acid pinacol ester

• CAS: 61676-62-8
• Catalog Number: ACM61676628
• Category: Other
• Molecular Weight: 186.06
• Molecular Formula: C₉H₁₉BO₃
• Synonyms: AKOS BRN-0268;2-ISOPROPOXY-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE;ISOPROPOXYBORONIC ACID, PINACOL ESTER;2-ISOPROPOXY-4,4,5,5-TETRAMETHYL-1,3,2-&;Isopropylpinacolylborate;2-ISOPROPOXY-4,4,5,5-TETRAMETHYL-1,3,2-DIOABOROLANE;2-Isopropoxyboronic acid, pinaco
• IUPAC Name: 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Boiling Point: 73ºC (15 mmHg)
• Flash Point: 43ºC
• Density: 0.912
• Appearance: Colorless crystals.
• Exact Mass: 186.14300
• Hazard Statements: Xi:Irritant
• Packing Group: III
• Safety Description: S26-S36
• WGK Germany: 3

Custom Q&A

What is the molecular formula of Isopropoxyboronic acid pinacol ester?

The molecular formula is C9H19BO3.

What is the molecular weight of Isopropoxyboronic acid pinacol ester?

The molecular weight is 186.06 g/mol.

What is the IUPAC name of Isopropoxyboronic acid pinacol ester?

The IUPAC name is 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane.

What is the InChI of Isopropoxyboronic acid pinacol ester?

The InChI is InChI=1S/C9H19BO3/c1-7(2)11-10-12-8(3,4)9(5,6)13-10/h7H,1-6H3.

What is the InChIKey of Isopropoxyboronic acid pinacol ester?

The InChIKey is MRWWWZLJWNIEEJ-UHFFFAOYSA-N.

What is the Canonical SMILES of Isopropoxyboronic acid pinacol ester?

The Canonical SMILES is B1(OC(C(O1)(C)C)(C)C)OC(C)C.

What is the CAS number of Isopropoxyboronic acid pinacol ester?

The CAS number is 61676-62-8.

What is the European Community (EC) number of Isopropoxyboronic acid pinacol ester?

The European Community (EC) number is 612-189-2.

What is the DSSTox Substance ID of Isopropoxyboronic acid pinacol ester?

The DSSTox Substance ID is DTXSID20407552.

Is Isopropoxyboronic acid pinacol ester a canonicalized compound?

Yes, Isopropoxyboronic acid pinacol ester is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 76-09-5
• 5419-55-6

• 61676-62-8

Reference: [1] Journal of the American Chemical Society, 2001, vol. 123, # 19, p. 4617 - 4618

Upstream Synthesis Route 2

• 25015-63-8
• 75-56-9

• 61676-62-8
• 1130-16-1

Reference: [1] Patent: CN108569984, 2018, A, . Location in patent: Paragraph 0069; 0070

Upstream Synthesis Route 3

• 5419-55-6

• 61676-62-8

Reference: [1] European Journal of Organic Chemistry, 2015, vol. 2015, # 11, p. 2498 - 2502

Downstream Synthesis Route 1

• 61676-62-8
• 171408-84-7

• 728911-52-2

Reference: [1]Journal of the American Chemical Society,2002,vol. 124,p. 11576 - 11577

Downstream Synthesis Route 2

• 61676-62-8
• 57103-20-5

• 618442-57-2

Reference: [1]Journal of Materials Chemistry,2011,vol. 21,p. 9139 - 9148

Downstream Synthesis Route 3

• 61676-62-8
• 4373-60-8

• 453530-49-9

Reference: [1]Inorganic Chemistry,2010,vol. 49,p. 4960 - 4971

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