Ethyl 2-Amino-4,5-dimethylthiophene-3-carboxylate - CAS 4815-24-1
Catalog: |
BB026502 |
Product Name: |
Ethyl 2-Amino-4,5-dimethylthiophene-3-carboxylate |
CAS: |
4815-24-1 |
Synonyms: |
2-amino-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester; ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate |
IUPAC Name: | ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate |
Description: | Ethyl 2-Amino-4,5-dimethylthiophene-3-carboxylate (CAS# 4815-24-1) is used in the preparation triazine and pyrimidine derivatives as anti-inflammatory and analgesic agents. Also used in the synthesis of antioxidants through heteroaryl amines as well as CB2 cannabinoid receptor partial agonists. |
Molecular Weight: | 199.27 |
Molecular Formula: | C9H13NO2S |
Canonical SMILES: | CCOC(=O)C1=C(SC(=C1C)C)N |
InChI: | InChI=1S/C9H13NO2S/c1-4-12-9(11)7-5(2)6(3)13-8(7)10/h4,10H2,1-3H3 |
InChI Key: | JYSDXODDWAQWJR-UHFFFAOYSA-N |
Boiling Point: | 302.9 °C at 760 mmHg |
Density: | 1.185 g/cm3 |
MDL: | MFCD00085051 |
LogP: | 2.70500 |
GHS Hazard Statement: | H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral] |
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 |
WO-2019201291-A1 | Histone acetyltransferase (hat) inhibitor and use thereof | 20180420 |
EP-3782995-A1 | Histone acetyltransferase (hat) inhibitor and use thereof | 20180420 |
US-2021101891-A1 | Histone acetyltransferase (hat) inhibitor and use thereof | 20180420 |
JP-2021522317-A | Histone Acetyltransferase (HAT) Inhibitors and Their Applications | 20180420 |
WO-2019154953-A1 | Non-fused thiophene derivatives and their uses | 20180208 |
PMID | Publication Date | Title | Journal |
22798788 | 20120701 | Ethyl 2-amino-4,5-dimethyl-thio-phene-3-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
19910244 | 20100101 | Synthesis, spectroscopic characterization, electrochemical behaviour and thermal decomposition studies of some transition metal complexes with an azo derivative | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
17391907 | 20070601 | Synthesis of 2-mercapto-3-substituted-5,6-dimethylthieno[2,3-d] pyrimidin-4(3H)-ones as new analgesic, anti-inflammatory agents | Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.06669983 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.06669983 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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