6,7-Dihydro-5H-pyrazolo[5,1-b][1,3] Oxazine - CAS 1383675-84-0
Catalog: |
BB064221 |
Product Name: |
6,7-Dihydro-5H-pyrazolo[5,1-b][1,3] Oxazine |
CAS: |
1383675-84-0 |
Synonyms: |
5H,6H,7H-Pyrazolo[3,2-b][1,3] Oxazine |
IUPAC Name: | 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine |
Description: | 6,7-Dihydro-5H-pyrazolo[5,1-b][1,3] Oxazine is a useful reactant in preparation of 3-(hetero)aryl pyrazolo[1,5-a]pyridines by Suzuki coupling of 3-pyrazolo[1,5-a]pyridine boronic ester. |
Molecular Weight: | 124.14 |
Molecular Formula: | C6H8N2O |
Canonical SMILES: | C1CN2C(=CC=N2)OC1 |
InChI: | InChI=1S/C6H8N2O/c1-4-8-6(9-5-1)2-3-7-8/h2-3H,1,4-5H2 |
InChI Key: | IASRYLKZYZPWRV-UHFFFAOYSA-N |
References: | Bethel, P., et al.:Tetrahedron, 68, 5434(2012). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.063662883 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 27Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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