Ethyl 4,4-difluoroacetoacetate - CAS 352-24-9
Catalog: |
BB022535 |
Product Name: |
Ethyl 4,4-difluoroacetoacetate |
CAS: |
352-24-9 |
Synonyms: |
ethyl 4,4-difluoro-3-oxobutanoate |
IUPAC Name: | ethyl 4,4-difluoro-3-oxobutanoate |
Description: | Ethyl 4,4-difluoroacetoacetate (CAS# 352-24-9) is an intermediate used for the synthesis of pharmaceuticals such as potassium channel activators and β-alanine derived GABA-T antagonists. |
Molecular Weight: | 166.12 |
Molecular Formula: | C6H8F2O3 |
Canonical SMILES: | CCOC(=O)CC(=O)C(F)F |
InChI: | InChI=1S/C6H8F2O3/c1-2-11-5(10)3-4(9)6(7)8/h6H,2-3H2,1H3 |
InChI Key: | CBDPWKVOPADMJC-UHFFFAOYSA-N |
Boiling Point: | 170.1 °C at 760 mmHg |
Density: | 1.61 g/cm3 |
MDL: | MFCD00034277 |
LogP: | 0.77380 |
GHS Hazard Statement: | H226 (14.58%): Flammable liquid and vapor [Warning Flammable liquids]; H315 (95.83%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (97.92%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112574039-A | Synthesis method of ethyl difluoroacetoacetate | 20201225 |
WO-2021193786-A1 | 6-(fluoroalkyl)-3,4-dihydro-2h-pyran-5-carboxylic acid ester derivative, method for producing derivative, method for producing 2-(fluoroalkyl)nicotinic acid ester derivative, and method for producing 2-(fluoroalkyl)nicotinic acid derivative | 20200327 |
JP-2021138690-A | Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof | 20200228 |
WO-2021158634-A1 | Irak degraders and uses thereof | 20200203 |
CN-111039870-A | Preparation method of polyhalogenated methyl pyrazole formate | 20191230 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.04415044 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.04415044 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS