Ethyl malonyl chloride - CAS 36239-09-5
Catalog: |
BB022916 |
Product Name: |
Ethyl malonyl chloride |
CAS: |
36239-09-5 |
Synonyms: |
ethyl 3-chloro-3-oxopropanoate |
IUPAC Name: | ethyl 3-chloro-3-oxopropanoate |
Description: | Ethyl malonyl chloride (CAS# 36239-09-5) is used as a reagent in the synthesis of novel thiadiazoloacrylamide analogs as inhibitors of dengue-2 virus NS2B/NS3 protease. Ethyl Malonyl Chloride is also used as a reagent in the synthesis of quinolone-benzylpiperidine derivatives as acetylcholinesterase inhibitors and antioxidant hybrids for Alzheimer disease. |
Molecular Weight: | 150.56 |
Molecular Formula: | C5H7ClO3 |
Canonical SMILES: | CCOC(=O)CC(=O)Cl |
InChI: | InChI=1S/C5H7ClO3/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3 |
InChI Key: | KWFADUNOPOSMIJ-UHFFFAOYSA-N |
Boiling Point: | 79-80 °C (25 mmHg) |
Purity: | 95 % |
Density: | 1.17 g/cm3 |
Appearance: | Clear yellow to brown liquid |
Storage: | 2-8 °C |
MDL: | MFCD00000736 |
LogP: | 1.54340 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021211864-A1 | Fused tricyclic kras inhibitors | 20200416 |
WO-2021198020-A1 | 3-(anilino)-2-[3-(3-alkoxy-pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one derivatives as egfr inhibitors for the treatment of cancer | 20200331 |
CN-111454190-A | Method for synthesizing oxiracetam by adopting NaA type molecular membrane reactor | 20200320 |
WO-2021168320-A1 | Heteroaryl compounds for treatment of complement factor d mediated disorders | 20200220 |
US-2021269434-A1 | Tricyclic compounds as inhibitors of kras | 20200110 |
PMID | Publication Date | Title | Journal |
21152555 | 20110128 | Synthetic and structural studies on new diiron azadithiolate (ADT)-type model compounds for active site of [FeFe]hydrogenases | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.0083718 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.0083718 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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