Ethyl 3-(N-Cbz-4-piperidyl)-3-oxopropanoate - CAS 167414-75-7
Catalog: |
BB012391 |
Product Name: |
Ethyl 3-(N-Cbz-4-piperidyl)-3-oxopropanoate |
CAS: |
167414-75-7 |
Synonyms: |
4-(3-ethoxy-1,3-dioxopropyl)-1-piperidinecarboxylic acid (phenylmethyl) ester; benzyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate |
IUPAC Name: | benzyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate |
Description: | Ethyl 3-(N-Cbz-4-piperidyl)-3-oxopropanoate (CAS# 167414-75-7) is a useful research chemical. |
Molecular Weight: | 333.38 |
Molecular Formula: | C18H23NO5 |
Canonical SMILES: | CCOC(=O)CC(=O)C1CCN(CC1)C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C18H23NO5/c1-2-23-17(21)12-16(20)15-8-10-19(11-9-15)18(22)24-13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3 |
InChI Key: | HSYRPXCJJXOCKE-UHFFFAOYSA-N |
Boiling Point: | 461.8 °C at 760 mmHg |
Density: | 1.19 g/cm3 |
LogP: | 2.49540 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020219591-A1 | Therapeutic methods and compounds | 20190426 |
US-2014107151-A1 | Tyrosine kinase inhibitors | 20110517 |
WO-2012158810-A1 | Tyrosine kinase inhibitors | 20110517 |
JP-2011116705-A | Nitrogen-containing cyclic compounds | 20091204 |
EP-2464647-A1 | Azaindazoles as btk kinase modulators and use thereof | 20090811 |
Complexity: | 437 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 333.15762283 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 333.15762283 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 72.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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