2-Boc-6-hydroxy-2-azaspiro[3.3]heptane - CAS 1147557-97-8
Catalog: |
BB003427 |
Product Name: |
2-Boc-6-hydroxy-2-azaspiro[3.3]heptane |
CAS: |
1147557-97-8 |
Synonyms: |
6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester; tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate |
IUPAC Name: | tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate |
Description: | 2-Boc-6-hydroxy-2-azaspiro[3.3]heptane (CAS# 1147557-97-8) is a reactant used in the synthesis of pharmaceuticals such as CNS penetrant CXCR2 antagonists for the potential treatment of CNS demyelinating. |
Molecular Weight: | 213.27 |
Molecular Formula: | C11H19NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2(C1)CC(C2)O |
InChI: | InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(13)5-11/h8,13H,4-7H2,1-3H3 |
InChI Key: | UMXXHZDEAZUQKZ-UHFFFAOYSA-N |
Appearance: | Solid |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD15071431 |
LogP: | 1.31610 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021158698-A1 | Muscarinic receptor 4 antagonists and methods of use | 20200205 |
WO-2021120890-A1 | Pyrazolyl derivatives useful as anti-cancer agents | 20191220 |
US-2021228562-A1 | Irak degraders and uses thereof | 20191217 |
WO-2021127190-A1 | Irak degraders and uses thereof | 20191217 |
WO-2021127283-A2 | Irak degraders and uses thereof | 20191217 |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.13649347 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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