N-Boc-4-piperidineacetaldehyde - CAS 142374-19-4
Catalog: |
BB009365 |
Product Name: |
N-Boc-4-piperidineacetaldehyde |
CAS: |
142374-19-4 |
Synonyms: |
tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate |
Description: | N-Boc-4-piperidineacetaldehyde (CAS# 142374-19-4) is used in the preparation of benzofuran-2-carboxylic acid based Pim-1 inhibitors. |
Molecular Weight: | 227.30 |
Molecular Formula: | C12H21NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)CC=O |
InChI: | InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-7-4-10(5-8-13)6-9-14/h9-10H,4-8H2,1-3H3 |
InChI Key: | PSRHRFNKESVOEL-UHFFFAOYSA-N |
Boiling Point: | 318.1 °C at 760 mmHg |
Density: | 1.035 g/cm3 |
Appearance: | White to tan crystals or powder |
MDL: | MFCD03425258 |
LogP: | 2.16040 |
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-2021195481-A1 | Small molecule stat protein degraders | 20200326 |
WO-2021187605-A1 | NITROGEN-CONTAINING HETEROCYCLIC α-CYANO CARBONYL COMPOUND | 20200319 |
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Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.15214353 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.15214353 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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