Skip to main content
1-(3-fluoro-4-nitrophenyl)ethanone CAS#: 72802-25-6
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name1-(3-fluoro-4-nitrophenyl)ethanoneIUPAC Name1-(3-fluoro-4-nitrophenyl)ethanone  Molecular StructureCAS Registry Number 72802-25-6EINECS NumberMDL NumberMFCD13194365Beilstein Registry NumberSynonyms1-(3-Fluoro-4-nitrophenyl)ethanone72802-25-61-(3-Fluoro-4-nitrophenyl)ethan-1-one1-(3-Fluoro-4-nitro-phenyl)-ethanoneMFCD13194365SCHEMBL11248434DTXSID00608606ZINC80815645AKOS016008225SB38480AS-49951SY129721CS-0103300O10276EN300-18285433 inverted exclamation mark -Fluoro-4 inverted exclamation mark -nitroacetophenoneMolecular FormulaC8H6FNO3Molecular Weight183.14InChIInChI=1S/C8H6FNO3/c1-5(11)6-2-3-8(10(12)13)7(9)4-6/h2-4H,1H3  InChI KeyUHAATBAYLFRWMR-UHFFFAOYSA-N  Canonical SMILESCC(=O)C1=CC(=C(C=C1)(=O))F  

Physical Data

Appearancepale yellow solid

Spectra

1-(3-fluoro-4-nitrophenyl)ethanone CAS#: 72802-25-6 HNMR

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 1-(3-fluoro-4-nitrophenyl)ethanone CAS-72802-25-6

ConditionsYieldWith methanol; sodium tetrahydroborate at 0℃; for 1h;99%With sodium tetrahydroborate In methanol at 20℃; for 1h;99%With methanol; sodium tetrahydroborate at -10 - 0℃; for 0.333333h; Concentration; Reflux;75%With methanol; sodium tetrahydroborate at -10 - 0℃; for 0.333333h;75%Experimental Procedure 1.b Synthesis of Compound 4To a mixture of Compound 3 (1.9 g, 10.4 mmol) in MeOH (20 mL) at -10 C was added NaBH4(418 mg, 11 mmol) in portions. The mixture was stirred between -10 C to 0 C for 20 minutes, diluted with EtOAc (300 mL), washed with sat. NH4Cl aqueous solution, brine, dried (Na2SO4). Filtered and concentrated under reduced pressure. The residue was purified via FCC (silica gel, EtOAc/Hexane) to afford Compound 4 as a light yellow oil (1.44g, 75% yield).1H NMR (CDCl3, 400 MHz) δ: 8.06 (t, J = 8.4 Hz, 1H), 7.35 (d, J = 11.6 Hz, 1H), 7.30 (d, J = 11.6 Hz, 1H), 5.01-4.99 (m, 1H), 1.52 (d, J = 6.4 Hz, 3H) ppm.

Safety and Hazards

No data available

Other Data

DruglikenessLipinski rules componentMolecular Weight183.139logP1.952HBA1HBD0Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)62.89Rotatable Bond (RotB)2Matching Veber Rules2

BioactivityQuantitative Results

Toxicity/Safety PharmacologyQuantitative Results

Use Pattern1-(3-fluoro-4-nitrophenyl)ethanone CAS#: 72802-25-6 is used as a pharmaceutical intermediate.
https://www.chemwhat.com/1-3-fluoro-4-nitrophenylethanone-cas-72802-25-6-2/

Comments

Post a Comment

Popular posts from this blog

Overcoming the "Choke Points" in Semaglutide Side Chain Synthesis with Core Technologies to Enable Efficient GLP-1 Drug Manufacturing

Semaglutide, a groundbreaking product in the GLP-1 drug class, owes its extended half-life and enhanced receptor affinity largely to its unique side chain, Ste-Glu-AEEA-AEEA-OSU (CAS: 1169630-40-3) . This side chain covalently modifies the peptide backbone, significantly improving pharmacokinetics and therapeutic performance. However, its complex structure presents two critical synthetic challenges: Precise Assembly of Repetitive AEEA Units: The side chain features consecutive AEEA (aminoethoxyethoxyacetic acid) units, which require stepwise coupling via highly activated intermediates (e.g., AEEA-AEEA). Any impurities or deviations compromise downstream reaction efficiency and may trigger irreversible byproducts. Stereochemistry and Stability of Glutamic Acid (Glu): The glutamic acid component must maintain strict L-configuration, and its carboxyl groups require directional protection (e.g., OtBu) to preserve biological activity. Leveraging deep expertise in peptide chemistry a...
Post a Comment
Read more
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NameTETRAKIS(ETHYLMETHYLAMINO)HAFNIUM IUPAC Nameethyl(methyl)azanide;hafnium(4+) Molecular StructureCAS Registry Number 352535-01-4MDL NumberMFCD03427130Synonyms352535-01-4Tetrakis(ethylmethylamino)hafniumEthanamine, N-methyl-, hafnium(4+) salt (4:1)ethyl(methyl)azanide;hafnium(4+)MFCD03427130SCHEMBL237323Hafnium tetrakis(ethylmethylamide)Tetrakis(ethylmethylamido)hafnium(IV)Tetrakis(ethylmethylamino)hafnium 99.999%Tetrakis(ethylmethylamido)hafnium(IV), >=99.99% trace metals basisTetrakis(ethylmethylamido)hafnium(IV), packaged for use in deposition systemsMolecular FormulaC12H32HfN4Molecular Weight410.9InChIInChI=1S/4C3H8N.Hf/c4*1-3-4-2;/h4*3H2,1-2H3;/q4*-1;+4 InChI KeyNPEOKFBCHNGLJD-UHFFFAOYSA-NIsomeric SMILESCCC.CCC.CCC.CCC. Physical Data AppearanceColorless liquid Spectra No data available Route of Synthesis (ROS) Route of Synthesis (ROS) of TETRAKIS(ETHYLMETHYLAMINO)HAF...
Post a Comment
Read more
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data Identification Product NameBCTA-4NH2IUPAC NameMolecular StructureCAS Registry Number 2559708-42-6Synonyms4,4',4",4"'-(-3,3',6,6'-tetrayl)tetraanilineMolecular FormulaC48H36N6Molecular Weight696.86 Physical Data AppearanceYellow to white powder Spectra No data available BCTA-4NH2 CAS#：2559708-42-6 NMR Route of Synthesis (ROS) No data available Safety and Hazards No data available Other Data TransportationStore at 2-8°C away from light for long time storageStore at 2-8°C away from light for long time storageHS CodeStorageStore at 2-8°C away from light for long time storageShelf Life1 yearMarket Price Toxicity/Safety PharmacologyQuantitative Results Use PatternBCTA-4NH2 CAS#: 2559708-42-6 is an organic compound with a wide range of applications. One of its primary uses is in the field of organic electronics, where it is used as a hole-transport material in organic light-emitti...
Post a Comment
Read more