1-Oxa-6-azaspiro[2.5]octane-6-carboxylic acid tert-butyl ester - CAS 147804-30-6
Catalog: |
BB010238 |
Product Name: |
1-Oxa-6-azaspiro[2.5]octane-6-carboxylic acid tert-butyl ester |
CAS: |
147804-30-6 |
Synonyms: |
tert-butyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate |
IUPAC Name: | tert-butyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate |
Description: | 1-Oxa-6-azaspiro[2.5]octane-6-carboxylic acid tert-butyl ester (CAS# 147804-30-6) is used in the synthesis of a T-type Ca2+ channel antagonist, 4-Aminomethyl-4-fluoropiperidine. |
Molecular Weight: | 213.27 |
Molecular Formula: | C11H19NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2(CC1)CO2 |
InChI: | InChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-6-4-11(5-7-12)8-14-11/h4-8H2,1-3H3 |
InChI Key: | ULSBMKGFFFMGOI-UHFFFAOYSA-N |
Boiling Point: | 297.624 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.123 g/cm3 |
MDL: | MFCD22681745 |
LogP: | 1.72420 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021198955-A1 | Compounds active towards nuclear receptors | 20200331 |
CN-113087724-A | Isothiazolopyrimidinones, pharmaceutical compositions containing the same and uses thereof | 20200108 |
WO-2021127337-A1 | Trpml modulators | 20191219 |
WO-2021113362-A1 | Sstr5 antagonists | 20191203 |
WO-2021113363-A1 | Sstr5 antagonists | 20191203 |
Complexity: | 262 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.13649347 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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