Ethyl 2-isopropylacetoacetate - CAS 1522-46-9
Catalog: |
BB010769 |
Product Name: |
Ethyl 2-isopropylacetoacetate |
CAS: |
1522-46-9 |
Synonyms: |
ethyl 2-acetyl-3-methylbutanoate |
IUPAC Name: | ethyl 2-acetyl-3-methylbutanoate |
Description: | Ethyl 2-isopropylacetoacetate (CAS# 1522-46-9) is a reactant in the preparation of nonracemic arylhydroxymethylpyrrolidinylmethylphenyl thiazoleacetamides and cyclopentathiazolecarboxamides as conformationally restricted β3-adrenoceptor agonists as a potential treatment for overactive bladder. |
Molecular Weight: | 172.22 |
Molecular Formula: | C9H16O3 |
Canonical SMILES: | CCOC(=O)C(C(C)C)C(=O)C |
InChI: | InChI=1S/C9H16O3/c1-5-12-9(11)8(6(2)3)7(4)10/h6,8H,5H2,1-4H3 |
InChI Key: | DMIFFKCVURTPTG-UHFFFAOYSA-N |
Boiling Point: | 82-85 °C (12 mmHg) |
Density: | 0.962 g/cm3 |
Appearance: | Clear colorless liquid |
MDL: | MFCD00042884 |
LogP: | 1.41070 |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021202781-A1 | N-heteroarylalkyl-2-(heterocyclyl and heterocyclylmethyl) acetamide derivatives as sstr4 agonists | 20200331 |
US-2019135793-A1 | Heterocyclic inhibitors of kdm5 for the treatment of disease | 20170518 |
WO-2018213777-A1 | Heterocyclic inhibitors of kdm5 for the treatment of disease | 20170518 |
AU-2018235266-A1 | Pharmacologically active alicyclic-substituted pyrazolo[1,5-a]pyrimidine derivatives | 20170313 |
BR-112019018843-A2 | compound, process for preparing compounds, pharmaceutical composition, combination, process for making a pharmaceutical composition, and method of treating and / or preventing a disorder | 20170313 |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.109944368 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS