1,5-Dimethyl-1H-pyrazole-4-boronic acid,pinacol ester

• CAS: 1036991-40-8
• Catalog Number: ACM1036991408-1
• Category: Boronic Esters

Custom Q&A

What is the molecular formula of 1,5-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester?

The molecular formula is C11H19BN2O2.

What is the molecular weight of 1,5-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester?

The molecular weight is 222.09 g/mol.

What is the IUPAC name of 1,5-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester?

The IUPAC name is 1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the InChI of 1,5-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester?

The InChI is InChI=1S/C11H19BN2O2/c1-8-9(7-13-14(8)6)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3.

What is the InChIKey of 1,5-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester?

The InChIKey is ZLIQCQOFVHSHPX-UHFFFAOYSA-N.

What is the canonical SMILES of 1,5-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester?

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

What is the CAS number of 1,5-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester?

The CAS number is 1036991-40-8.

What is the European Community (EC) Number of 1,5-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester?

The European Community (EC) Number is 687-722-5.

What is the DSSTox Substance ID of 1,5-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester?

The DSSTox Substance ID is DTXSID50655322.

Is 1,5-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 936250-20-3
• 74-88-4

• 1036991-40-8
• 1046832-21-6

Reference: [1] Patent: WO2010/51373, 2010, A1, . Location in patent: Page/Page column 74

Upstream Synthesis Route 2

• 936250-20-3
• 74-88-4

• 1036991-40-8
• 1046832-21-6

Reference: [1]Patent: WO2010/51373,2010,A1 .Location in patent: Page/Page column 74

Downstream Synthesis Route 1

• 1046793-64-9
• 1036991-40-8

• 1046831-25-7

Reference: [1]Patent: WO2008/95944,2008,A1 .Location in patent: Page/Page column 39-40; 179

Downstream Synthesis Route 2

• 685115-77-9
• 1036991-40-8

• 1221567-64-1

Reference: [1]Patent: WO2010/41054,2010,A1 .Location in patent: Page/Page column 65-66

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