1-(2-(Tetrahydro-2H-pyran-2-yloxy)ethyl)-1H-4-pyrazole boronic acid pinacol ester

• CAS: 1040377-08-9
• Catalog Number: ACM1040377089
• Category: Boronic Esters

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C16H27BN2O4.

What is the molecular weight of the compound?

The molecular weight is 322.2 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the InChI of the compound?

The InChI is InChI=1S/C16H27BN2O4/c1-15(2)16(3,4)23-17(22-15)13-11-18-19(12-13)8-10-21-14-7-5-6-9-20-14/h11-12,14H,5-10H2,1-4H3.

What is the InChIKey of the compound?

The InChIKey is YWRBLSYOLXMZGA-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCOC3CCCCO3.

What is the CAS number of the compound?

The CAS number is 956907-34-9.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count is 0.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count is 5.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 96-49-1
• 269410-08-4

• 1040377-08-9

Reference: [1] Patent: WO2011/54841, 2011, A1, . Location in patent: Page/Page column 107

Upstream Synthesis Route 2

• 214614-81-0

• 1040377-08-9

Reference: [1] Patent: WO2008/88881, 2008, A1, . Location in patent: Page/Page column 47

Upstream Synthesis Route 3

• 269410-08-4
• 540-51-2

• 1040377-08-9

Reference: [1] Patent: WO2014/60432, 2014, A1, . Location in patent: Page/Page column 129

Upstream Synthesis Route 4

• 96-49-1
• 269410-08-4

• 1040377-08-9

Reference: [1]Patent: WO2011/54841,2011,A1 .Location in patent: Page/Page column 107