Ethyl Imidazole-2-carboxylate - CAS 33543-78-1
Catalog: |
BB021763 |
Product Name: |
Ethyl Imidazole-2-carboxylate |
CAS: |
33543-78-1 |
Synonyms: |
1H-imidazole-2-carboxylic acid ethyl ester; ethyl 1H-imidazole-2-carboxylate |
IUPAC Name: | ethyl 1H-imidazole-2-carboxylate |
Description: | Ethyl Imidazole-2-carboxylate (CAS# 33543-78-1) is an intermediate used to synthesize tricyclic quinoxalinone inhibitors of poly(ADP-ribose)polymerase-1 (PARP-1). It is also used to prepare imidazoindenopyrazinone carboxylic acid derivatives as AMPA antagonists with anticonvulsant activities. |
Molecular Weight: | 140.14 |
Molecular Formula: | C6H8N2O2 |
Canonical SMILES: | CCOC(=O)C1=NC=CN1 |
InChI: | InChI=1S/C6H8N2O2/c1-2-10-6(9)5-7-3-4-8-5/h3-4H,2H2,1H3,(H,7,8) |
InChI Key: | UHYNYIGCGVDBTC-UHFFFAOYSA-N |
Boiling Point: | 48-51 °C / 0.3 mmHg |
Density: | 1.214 g/cm3 |
MDL: | MFCD03426031 |
LogP: | 0.58640 |
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-111662233-A | Method for synthesizing 4-chloro-1H-imidazole-2-carboxylic acid ethyl ester by one-step method | 20200624 |
US-2021309635-A1 | Plxdc2 ligands | 20200327 |
CN-111187218-A | Application of 1-substituted-1H-imidazole-2-carboxylic acid compounds in preparation of metal β -lactamase inhibitor | 20200226 |
CN-111253317-A | 1-substituted-1H-imidazole-2-carboxylic acid compound | 20200226 |
CN-113004285-A | Heterocyclic compound and pharmaceutical composition, preparation method, intermediate and application thereof | 20191220 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.058577502 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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