(2-(Trifluoromethyl)pyrimidin-5-yl)boronicacid

• CAS: 1308298-23-8
• Catalog Number: ACM1308298238
• Category: Boro-Amino Acids

Custom Q&A

What is the molecular formula of (2-(Trifluoromethyl)pyrimidin-5-yl)boronic acid?

The molecular formula is C5H4BF3N2O2.

What is the molecular weight of (2-(Trifluoromethyl)pyrimidin-5-yl)boronic acid?

The molecular weight is 191.91 g/mol.

What is the IUPAC name of (2-(Trifluoromethyl)pyrimidin-5-yl)boronic acid?

The IUPAC name is [2-(trifluoromethyl)pyrimidin-5-yl]boronic acid.

What is the InChI of (2-(Trifluoromethyl)pyrimidin-5-yl)boronic acid?

The InChI is InChI=1S/C5H4BF3N2O2/c7-5(8,9)4-10-1-3(2-11-4)6(12)13/h1-2,12-13H.

What is the InChIKey of (2-(Trifluoromethyl)pyrimidin-5-yl)boronic acid?

The InChIKey is OEZMIKKBMMAABO-UHFFFAOYSA-N.

What is the canonical SMILES of (2-(Trifluoromethyl)pyrimidin-5-yl)boronic acid?

The canonical SMILES is B(C1=CN=C(N=C1)C(F)(F)F)(O)O.

What is the CAS number of (2-(Trifluoromethyl)pyrimidin-5-yl)boronic acid?

The CAS number is 1308298-23-8.

What is the European Community (EC) Number of (2-(Trifluoromethyl)pyrimidin-5-yl)boronic acid?

The EC Number is 810-367-6.

How many hydrogen bond donor counts are there in (2-(Trifluoromethyl)pyrimidin-5-yl)boronic acid?

There are 2 hydrogen bond donor counts.

What is the topological polar surface area of (2-(Trifluoromethyl)pyrimidin-5-yl)boronic acid?

The topological polar surface area is 66.2Ų.

Synthetic Use

Upstream Synthesis Route 1

• 799557-86-1
• 5419-55-6

• 1308298-23-8

Reference: [1] Patent: WO2016/44792, 2016, A1, . Location in patent: Page/Page column 105; 106

Downstream Synthesis Route 1

• 1308298-23-8
• 1401163-28-7

• 1401163-83-4

Reference: [1]Patent: US2012/245124,2012,A1 .Location in patent: Page/Page column 53-54

Downstream Synthesis Route 2

• 1308298-23-8
• 183438-24-6

• 183437-80-1

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2014,vol. 24,p. 839 - 844

Downstream Synthesis Route 3

• 1308298-23-8
• 1049025-21-9

• 1590398-19-8

Reference: [1]Patent: WO2014/49047,2014,A1 .Location in patent: Page/Page column 100; 101

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