tert-Butyl 6-Oxo-3-azabicyclo[3.1.1]heptane-3-carboxylate - CAS 1251013-26-9
Catalog: |
BB057670 |
Product Name: |
tert-Butyl 6-Oxo-3-azabicyclo[3.1.1]heptane-3-carboxylate |
CAS: |
1251013-26-9 |
Synonyms: |
1,1-Dimethylethyl 6-oxo-3-azabicyclo[3.1.1]heptane-3-carboxylate; 3-Boc-6-oxo-3-aza-bicyclo[3.1.1]heptane; tert-Butyl 6-oxo-3-azabicyclo[3.1.1]heptan-3-carboxylate |
IUPAC Name: | tert-butyl 6-oxo-3-azabicyclo[3.1.1]heptane-3-carboxylate |
Description: | tert-Butyl 6-Oxo-3-azabicyclo[3.1.1]heptane-3-carboxylate may be useful in the preparation of macrocyclic compounds as modulators of cystic fibrosis transmembrane conductance regulator. |
Molecular Weight: | 211.25 |
Molecular Formula: | C11H17NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2CC(C1)C2=O |
InChI: | InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-5-7-4-8(6-12)9(7)13/h7-8H,4-6H2,1-3H3 |
InChI Key: | HYSWAZRVGXDNQF-UHFFFAOYSA-N |
References: | McCartney, J., et al. PCT Int. Appl., WO 2022076624, 647pp. (2022). |
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 |
Publication Number | Title | Priority Date |
WO-2020249064-A1 | Compounds for modulating fxr | 20190614 |
EP-3733663-A1 | Quinazoline derivative and use thereof | 20171219 |
US-2021078958-A1 | Quinazoline derivative and use thereof | 20171219 |
EA-037208-B1 | SUBSTITUTED PYRAZOLO [1,5-a] PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS | 20170929 |
WO-2019040106-A2 | COMPOUNDS, RELATED SALTS AND METHODS FOR THE TREATMENT OF DISEASES | 20170821 |
AU-2017342027-A1 | Substituted pyrazolo[1,5-a]pyridine compounds as RET kinase inhibitors | 20161010 |
JP-2019533670-A | Substituted pyrazolo [1,5-A] pyridine compounds as RET kinase inhibitors | 20161010 |
KR-20190077389-A | Substituted pyrazolo [1,5-a] pyridine compounds as RET kinase inhibitors | 20161010 |
TW-201827428-A | Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors | 20161010 |
US-10144734-B2 | Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors | 20161010 |
Complexity: | 291 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.1208434 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.1208434 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.6Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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