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| IUPAC Name: | 2-chloro-1-(4-fluorophenyl)ethanone |
| Description: | 2-Chloro-4'-fluoroacetophenone (CAS# 456-04-2) is used as reactant/reagent in synthetic preparation of idelalisib using the HMDS/I2-catalyzed cyclocondensation and Boc deprotection of an (aminobutyrylamino)benzamide to a nonracemic quinazoline as the key step. 2-Amino-6-fluoro-N-phenyl-benzamide is obtained from 2-fluoro-6-nitro-benzoic acid. |
| Molecular Weight: | 172.58 |
| Molecular Formula: | C8H6ClFO |
| Canonical SMILES: | C1=CC(=CC=C1C(=O)CCl)F |
| InChI: | InChI=1S/C8H6ClFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2 |
| InChI Key: | UJZWJOQRSMOFMA-UHFFFAOYSA-N |
| Boiling Point: | 247 °C |
| Melting Point: | 47-50 °C |
| Purity: | 95 % |
| Appearance: | Yellow-beige crystals. |
| Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
| MDL: | MFCD00011652 |
| LogP: | 2.24720 |
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