5-(Methoxycarbonyl)-pyrazole-3-boronic Acid - CAS 92988-09-5
Catalog: |
BB059322 |
Product Name: |
5-(Methoxycarbonyl)-pyrazole-3-boronic Acid |
CAS: |
92988-09-5 |
Synonyms: |
(3-(Ethoxycarbonyl)-1H-pyrazol-5-yl)boronic Acid; NSC 150870 |
IUPAC Name: | (3-ethoxycarbonyl-1H-pyrazol-5-yl)boronic acid |
Description: | 5-(Methoxycarbonyl)-pyrazole-3-boronic Acid is a useful reagent in the cycloaddition of diazo compounds to ethyleneboronic and acetyleneboronic esters. |
Molecular Weight: | 183.96 |
Molecular Formula: | C6H9BN2O4 |
Canonical SMILES: | B(C1=CC(=NN1)C(=O)OCC)(O)O |
InChI: | InChI=1S/C6H9BN2O4/c1-2-13-6(10)4-3-5(7(11)12)9-8-4/h3,11-12H,2H2,1H3,(H,8,9) |
InChI Key: | QHXTVTLYLGSDEI-UHFFFAOYSA-N |
References: | Matteson, Donald S., et al. J. Org. Chem., 27, 4293 (1962). |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.0655369 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.0655369 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 95.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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