1-(Tetrahydro-2h-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

• CAS: 1003846-21-6
• Catalog Number: ACM1003846216-1
• Category: Other

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C14H23BN2O3.

What is the molecular weight of the compound?

The molecular weight is 278.16 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-(oxan-2-yl)-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/C14H23BN2O3/c1-13(2)14(3,4)20-15(19-13)11-9-16-17(10-11)12-7-5-6-8-18-12/h9-10,12H,5-8H2,1-4H3.

What is the InChIKey of the compound?

The InChIKey is YYSLAWXDXHVRHU-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)C3CCCCO3.

What is the CAS number of the compound?

The CAS number is 1003846-21-6.

What is the EC number of the compound?

The EC number is 817-729-2.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count is 0.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 110-87-2
• 269410-08-4

• 1003846-21-6

Reference: [1] Patent: WO2014/1973, 2014, A1, . Location in patent: Page/Page column 60; 61; 62

Upstream Synthesis Route 2

• 73183-34-3

• 1003846-21-6

Reference: [1] Patent: US2015/252051, 2015, A1, . Location in patent: Paragraph 0165; 0167

Upstream Synthesis Route 3

• 1040377-02-3
• 73183-34-3

• 1003846-21-6

Reference: [1] Patent: WO2014/86032, 2014, A1, . Location in patent: Page/Page column 43

Upstream Synthesis Route 4

• 110-87-2
• 269410-08-4

• 1003846-21-6

Reference: [1]Patent: WO2014/1973,2014,A1 .Location in patent: Page/Page column 60; 61; 62

Downstream Synthesis Route 1

• 1003846-21-6
• 1148129-84-3

• 1148129-91-2

Reference: [1]Patent: US2009/118287,2009,A1 .Location in patent: Page/Page column 41

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