4'-Fluoro-2-hydroxyacetophenone - CAS 403-31-6
Catalog: |
BB024455 |
Product Name: |
4'-Fluoro-2-hydroxyacetophenone |
CAS: |
403-31-6 |
Synonyms: |
1-(4-fluorophenyl)-2-hydroxyethanone; 1-(4-fluorophenyl)-2-hydroxyethanone |
IUPAC Name: | 1-(4-fluorophenyl)-2-hydroxyethanone |
Description: | 4'-Fluoro-2-hydroxyacetophenone (CAS# 403-31-6) is an intermediate for the synthesis of (E)-Δ3,4-Ceftizoxime (A585110), which is an impurity of Ceftizoxime (C244760), a cephalosporin based, potent antibacterial agent. |
Molecular Weight: | 154.14 |
Molecular Formula: | C8H7FO2 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)CO)F |
InChI: | InChI=1S/C8H7FO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,10H,5H2 |
InChI Key: | CCNZMIDUTPQMIK-UHFFFAOYSA-N |
Boiling Point: | 260.5 °C at 760 mmHg |
Density: | 1.256 g/cm3 |
MDL: | MFCD02679035 |
LogP: | 1.00070 |
Publication Number | Title | Priority Date |
CN-112852894-A | Amine dehydrogenase mutant and application thereof in synthesis of chiral amine alcohol compound | 20200604 |
CN-109020996-A | One kind having photoactive miscellaneous polycyclic compound and preparation method thereof | 20180903 |
EP-3816163-A1 | Cell necrosis inhibitor, preparation method therefor and use thereof | 20180626 |
WO-2019053426-A1 | FLUOROPHENYL BETA-HYDROXYETHYLAMINES AND THEIR USE IN THE TREATMENT OF HYPERGLYCEMIA | 20170913 |
EP-3681857-A1 | Fluorophenyl beta-hydroxyethylamines and their use in the treatment of hyperglycaemia | 20170913 |
PMID | Publication Date | Title | Journal |
22347113 | 20120201 | 2-(4-Fluoro-phen-yl)-2-oxoethyl 2-methoxy-benzoate | Acta crystallographica. Section E, Structure reports online |
21754060 | 20110401 | 7-Fluoro-4-oxochromene-3-carbaldehyde | Acta crystallographica. Section E, Structure reports online |
12467914 | 20030101 | Application of LC-NMR for the study of the volatile metabolite of MK-0869, a substance P receptor antagonist | Journal of pharmaceutical and biomedical analysis |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.04300762 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.04300762 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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