Ethyl 2-Oxo-2-(1-Boc-4-oxo-3-piperidyl)acetate - CAS 518990-24-4
Catalog: |
BB027640 |
Product Name: |
Ethyl 2-Oxo-2-(1-Boc-4-oxo-3-piperidyl)acetate |
CAS: |
518990-24-4 |
Synonyms: |
3-(2-ethoxy-1,2-dioxoethyl)-4-oxo-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 3-(2-ethoxy-2-oxoacetyl)-4-oxopiperidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-(2-ethoxy-2-oxoacetyl)-4-oxopiperidine-1-carboxylate |
Description: | Ethyl 2-Oxo-2-(1-Boc-4-oxo-3-piperidyl)acetate (CAS# 518990-24-4) is a useful research chemical. |
Molecular Weight: | 299.32 |
Molecular Formula: | C14H21NO6 |
Canonical SMILES: | CCOC(=O)C(=O)C1CN(CCC1=O)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C14H21NO6/c1-5-20-12(18)11(17)9-8-15(7-6-10(9)16)13(19)21-14(2,3)4/h9H,5-8H2,1-4H3 |
InChI Key: | RSNKXJXWNHBZEU-UHFFFAOYSA-N |
Appearance: | Light red to brown liquid |
LogP: | 0.88260 |
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 |
WO-2020243135-A1 | Fused heterocyclic derivatives | 20190528 |
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WO-2020198583-A1 | Bicyclic jak inhibitors and uses thereof | 20190327 |
PMID | Publication Date | Title | Journal |
26436839 | 20151101 | New IDH1 mutant inhibitors for treatment of acute myeloid leukemia | Nature chemical biology |
Complexity: | 451 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.13688739 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.13688739 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 90 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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