Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate - CAS 54278-10-3
Catalog: |
BB028584 |
Product Name: |
Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate |
CAS: |
54278-10-3 |
Synonyms: |
ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
IUPAC Name: | ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
Description: | Ethyl 2,4-dimethyl-5-(ethoxycarbonyl)-3-pyrrolepropionate (CAS# 54278-10-3) is a useful research chemical. |
Molecular Weight: | 267.32 |
Molecular Formula: | C14H21NO4 |
Canonical SMILES: | CCOC(=O)CCC1=C(NC(=C1C)C(=O)OCC)C |
InChI: | InChI=1S/C14H21NO4/c1-5-18-12(16)8-7-11-9(3)13(15-10(11)4)14(17)19-6-2/h15H,5-8H2,1-4H3 |
InChI Key: | ZYNJVGCLOFPWFZ-UHFFFAOYSA-N |
Boiling Point: | 389.8 °C at 760 mmHg |
Density: | 1.111 g/cm3 |
Appearance: | White to tan solid, powder, crystals and/or chunks |
MDL: | MFCD00010644 |
LogP: | 2.30390 |
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 |
US-2017121599-A1 | Process for making an asymmetric fluorophore | 20151102 |
US-9951271-B2 | Process for making an asymmetric fluorophore | 20151102 |
EP-3350142-A2 | Improved design of an ethylene oligomerization/trimerization/tetramerization reactor | 20150918 |
JP-2018530542-A | Improved design of ethylene oligomerization / trimerization / tetramerization reactors | 20150918 |
KR-20180055815-A | Improved design of ethylene oligomerization / trimerization / tetramerization reactor | 20150918 |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.14705815 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.14705815 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 68.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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