tert-Butyl 3-[(methylsulfonyl)oxy]-1-azetanecarboxylate - CAS 141699-58-3
Catalog: |
BB009219 |
Product Name: |
tert-Butyl 3-[(methylsulfonyl)oxy]-1-azetanecarboxylate |
CAS: |
141699-58-3 |
Synonyms: |
tert-butyl 3-methylsulfonyloxyazetidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-methylsulfonyloxyazetidine-1-carboxylate |
Description: | tert-Butyl 3-[(methylsulfonyl)oxy]-1-azetanecarboxylate (CAS# 141699-58-3) is a useful research chemical. |
Molecular Weight: | 251.30 |
Molecular Formula: | C9H17NO5S |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(C1)OS(=O)(=O)C |
InChI: | InChI=1S/C9H17NO5S/c1-9(2,3)14-8(11)10-5-7(6-10)15-16(4,12)13/h7H,5-6H2,1-4H3 |
InChI Key: | XXBDTKYKFFIAEY-UHFFFAOYSA-N |
Boiling Point: | 378.534 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.283 g/cm3 |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD05664832 |
LogP: | 1.60060 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 |
CN-112939982-A | Alkyne heterocyclic BTK inhibitor and preparation method and application thereof | 20210121 |
WO-2021170109-A1 | Tropomyosin receptor kinase (trk) degradation compounds and methods of use | 20200226 |
WO-2021127586-A1 | Protein tyrosine phosphatase degraders and methods of use thereof | 20191220 |
US-2021171535-A1 | Tricyclic heterocycles as fgfr inhibitors | 20191204 |
WO-2021113479-A1 | Tricyclic heterocycles as fgfr inhibitors | 20191204 |
Complexity: | 358 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.08274382 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.08274382 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 81.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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