Ethyl 3-Ethoxy-2-methylacrylate - CAS 92145-32-9
Catalog: |
BB040439 |
Product Name: |
Ethyl 3-Ethoxy-2-methylacrylate |
CAS: |
92145-32-9 |
Synonyms: |
(E)-3-ethoxy-2-methyl-2-propenoic acid ethyl ester; ethyl (E)-3-ethoxy-2-methylprop-2-enoate |
IUPAC Name: | ethyl (E)-3-ethoxy-2-methylprop-2-enoate |
Description: | Ethyl 3-Ethoxy-2-methylacrylate (CAS# 92145-32-9) is a reactant in the synthesis of kinase inhibitors as anti-cancer agents such as staurosporine and EKB-509. |
Molecular Weight: | 158.19 |
Molecular Formula: | C8H14O3 |
Canonical SMILES: | CCOC=C(C)C(=O)OCC |
InChI: | InChI=1S/C8H14O3/c1-4-10-6-7(3)8(9)11-5-2/h6H,4-5H2,1-3H3/b7-6+ |
InChI Key: | WZCHIWJCAAITIC-VOTSOKGWSA-N |
Boiling Point: | 197.499 °C at 760 mmHg |
Density: | 0.965 g/cm3 |
LogP: | 1.48980 |
GHS Hazard Statement: | H302 (100%): 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 |
US-2021179587-A1 | Modulators of alpha-1 antitrypsin | 20181005 |
CA-3020305-A1 | Imidazo [1,5-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders | 20160406 |
CA-3020310-A1 | Pyrrolo[1,2-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders | 20160406 |
EP-3440081-A1 | Pyrrolo[1,2-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders | 20160406 |
EP-3440083-A1 | Imidazo [1,5-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders | 20160406 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 158.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.094294304 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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