Ethyl 3-methylpyrazole-5-carboxylate - CAS 4027-57-0
Catalog: |
BB024414 |
Product Name: |
Ethyl 3-methylpyrazole-5-carboxylate |
CAS: |
4027-57-0 |
Synonyms: |
ethyl 5-methyl-1H-pyrazole-3-carboxylate |
IUPAC Name: | ethyl 5-methyl-1H-pyrazole-3-carboxylate |
Description: | Ethyl 3-methylpyrazole-5-carboxylate (CAS# 4027-57-0) is a useful synthetic intermediate. It is used to prepare tetrahydroisoquinoline amide substituted Ph pyrazoles as selective Bcl-2 inhibitors. It is also studies as a hypolipidemic agent. |
Molecular Weight: | 154.17 |
Molecular Formula: | C7H10N2O2 |
Canonical SMILES: | CCOC(=O)C1=NNC(=C1)C |
InChI: | InChI=1S/C7H10N2O2/c1-3-11-7(10)6-4-5(2)8-9-6/h4H,3H2,1-2H3,(H,8,9) |
InChI Key: | BOTXQJAHRCGJEG-UHFFFAOYSA-N |
Boiling Point: | 299.1 ℃ at 760 mmHg |
Melting Point: | 80-83 ℃ |
Purity: | 95.0 % (HPLC) |
Density: | 1.171 g/cm3 |
MDL: | MFCD00052514 |
LogP: | 0.89480 |
GHS Hazard Statement: | H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112390757-A | Simple synthesis process of 5-methyl-1H-pyrazole-3-ethyl formate | 20201202 |
WO-2021180193-A1 | Pyrazole carboxylate compound and use thereof | 20200313 |
EP-3842100-A1 | Anti-malarial agents | 20191224 |
WO-2021123266-A1 | Anti-malarial agents | 20191220 |
WO-2021059136-A1 | Polyheterocyclic modulators of sting (stimulator of interferon genes) | 20190925 |
PMID | Publication Date | Title | Journal |
22623668 | 20120523 | An ankyrinG-binding motif is necessary and sufficient for targeting Nav1.6 sodium channels to axon initial segments and nodes of Ranvier | The Journal of neuroscience : the official journal of the Society for Neuroscience |
21119888 | 20100601 | The Human Glioma-Associated Oncogene Homolog 1 (GLI1) Family of Transcription Factors in Gene Regulation and Diseases | Current genomics |
18422889 | 20080801 | Precision breeding for novel starch variants in potato | Plant biotechnology journal |
16224413 | 20030401 | ECOG E1100: a phase II trial of trastuzumab and gefitinib in patients with metastatic breast cancer that overexpress HER2/neu (erbB-2) | Clinical advances in hematology & oncology : H&O |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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Carbonyl Compounds
Pyrazoles
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