Ethyl 2-Oxazolecarboxylate - CAS 33036-67-8
Catalog: |
BB021529 |
Product Name: |
Ethyl 2-Oxazolecarboxylate |
CAS: |
33036-67-8 |
Synonyms: |
2-oxazolecarboxylic acid ethyl ester; ethyl 1,3-oxazole-2-carboxylate |
IUPAC Name: | ethyl 1,3-oxazole-2-carboxylate |
Description: | Ethyl 2-Oxazolecarboxylate (CAS# 33036-67-8) is an intermediate in synthesizing 4-Bromooxazole-2-carboxylic Acid (B686295), which is used in the preparation of heteroaryl-substituted 2-pyridinylmethylamine derivs. as selective 5-HT1A modulators. |
Molecular Weight: | 141.12 |
Molecular Formula: | C6H7NO3 |
Canonical SMILES: | CCOC(=O)C1=NC=CO1 |
InChI: | InChI=1S/C6H7NO3/c1-2-9-6(8)5-7-3-4-10-5/h3-4H,2H2,1H3 |
InChI Key: | JYQRCIRWXOYCLA-UHFFFAOYSA-N |
Boiling Point: | 193.976 °C at 760 mmHg |
Density: | 1.177 g/cm3 |
Appearance: | Solid |
MDL: | MFCD04114939 |
LogP: | 0.85130 |
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-2020099404-A1 | Herbicidal compounds | 20181112 |
CN-111918865-A | Heterocyclic compound and harmful arthropod control composition containing same | 20180330 |
CN-111770923-A | Heterocyclic compound and noxious arthropod control agent containing same | 20171226 |
CN-111566108-A | Heterocyclic compound and noxious arthropod control agent containing same | 20171225 |
CN-111511741-A | Heterocyclic compound and noxious arthropod control agent containing same | 20171222 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.042593085 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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