Ethyl isonipecotate - CAS 1126-09-6
Catalog: |
BB003005 |
Product Name: |
Ethyl isonipecotate |
CAS: |
1126-09-6 |
Synonyms: |
ethyl piperidine-4-carboxylate |
IUPAC Name: | ethyl piperidine-4-carboxylate |
Description: | Ethyl isonipecotate (CAS# 1126-09-6) is a versatile building block used in various chemical synthesis of pharmaceutical compounds including inhibitors and antagonists. It can be used in the preparation of fused-pyrimidine derivatives as a series of novel GPR119 agonists. |
Molecular Weight: | 157.21 |
Molecular Formula: | C8H15NO2 |
Canonical SMILES: | CCOC(=O)C1CCNCC1 |
InChI: | InChI=1S/C8H15NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h7,9H,2-6H2,1H3 |
InChI Key: | RUJPPJYDHHAEEK-UHFFFAOYSA-N |
Boiling Point: | 204 °C |
Purity: | 95 % |
Density: | 1.02 g/cm3 |
Appearance: | Clear colorless to slightly brown liquid |
Storage: | Store in a cool, dry place. Keep container closed when not in use. |
MDL: | MFCD00006003 |
LogP: | 0.87790 |
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 |
CN-113200912-A | Method for synthesizing cyanamide | 20210413 |
CN-111559975-A | Continuous synthesis method and application of piperidine-4-ethyl formate | 20200715 |
CN-111559975-B | Continuous synthesis method and application of piperidine-4-ethyl formate | 20200715 |
CN-111559983-A | Continuous hydrogenation method of pyrazine-2-ethyl formate and application thereof | 20200715 |
CN-111559983-B | Continuous hydrogenation method of pyrazine-2-ethyl formate and application thereof | 20200715 |
PMID | Publication Date | Title | Journal |
20428062 | 20100409 | Synthesis, antimicrobial, and anti-inflammatory activities of novel 5-(1-adamantyl)-4-arylideneamino-3-mercapto-1,2,4-triazoles and related derivatives | Molecules (Basel, Switzerland) |
19618939 | 20090813 | Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography | Journal of medicinal chemistry |
18598035 | 20080813 | 4-Pyridyl carbonyl compounds as thrips lures: effectiveness for Western flower thrips in y-tube bioassays | Journal of agricultural and food chemistry |
17602496 | 20070725 | 4-pyridyl carbonyl and related compounds as thrips lures: effectiveness for onion thrips and new zealand flower thrips in field experiments | Journal of agricultural and food chemistry |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.110278721 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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