Methyl 5-(Chloromethyl)furan-2-carboxylate - CAS 2144-37-8
Catalog: |
BB016867 |
Product Name: |
Methyl 5-(Chloromethyl)furan-2-carboxylate |
CAS: |
2144-37-8 |
Synonyms: |
5-(chloromethyl)-2-furancarboxylic acid methyl ester; methyl 5-(chloromethyl)furan-2-carboxylate |
IUPAC Name: | methyl 5-(chloromethyl)furan-2-carboxylate |
Description: | Methyl 5-(Chloromethyl)-2-furoate can be used for inhibition of gram-negative bacterial for iron uptake. It can also be used to treat osteoporosis. |
Molecular Weight: | 174.58 |
Molecular Formula: | C7H7ClO3 |
Canonical SMILES: | COC(=O)C1=CC=C(O1)CCl |
InChI: | InChI=1S/C7H7ClO3/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3H,4H2,1H3 |
InChI Key: | PWXMEBZOKUPCST-UHFFFAOYSA-N |
Boiling Point: | 102 °C (15 mmHg) 268.2 °C at 760 mmHg |
Density: | 1.266 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00020922 |
LogP: | 1.80500 |
GHS Hazard Statement: | H314 (95%): 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 |
CN-111848629-A | mTOR/HDAC dual inhibitor and application thereof | 20200715 |
CN-111848629-B | mTOR/HDAC dual inhibitor and application thereof | 20200715 |
JP-2021102590-A | Hypoxanthine compound | 20191226 |
WO-2020186110-A1 | Small molecules that bind cyclin-dependent kinase inhibitor 1b (p27kip1) | 20190313 |
WO-2019170204-A1 | Synthesis of precursors of 2,5-furandicarboxylic acid | 20180305 |
PMID | Publication Date | Title | Journal |
21608132 | 20110801 | Discovery of adamantyl heterocyclic ketones as potent 11β-hydroxysteroid dehydrogenase type\u20051 inhibitors | ChemMedChem |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.0083718 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.0083718 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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