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| IUPAC Name: | 3-(4-fluorophenyl)-3-oxopropanenitrile |
| Description: | 4-Fluorobenzoylacetonitrile (CAS# 4640-67-9) is used as a reagent in the synthesis of Blonanserin (B595850); a 5-HT2 serotonin receptor and D2 dopamine receptor antagonist, used as an antipsychotic. 4-Fluorobenzoylacetonitrile is also used in the preparation of pyrazolopyrimidines as potential antimicrobial and antioxidant agents. |
| Molecular Weight: | 163.15 |
| Molecular Formula: | C9H6FNO |
| Canonical SMILES: | C1=CC(=CC=C1C(=O)CC#N)F |
| InChI: | InChI=1S/C9H6FNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2 |
| InChI Key: | LOJBBLDAJBJVBZ-UHFFFAOYSA-N |
| Boiling Point: | 311.9 °C at 760 mmHg |
| Purity: | 97+ % |
| Density: | 1.207 g/cm3 |
| Appearance: | White to tan solid |
| MDL: | MFCD00662062 |
| LogP: | 1.92208 |
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Strict process parameter control to ensure product quality
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> 20,000 building blocks and intermediates from stock
Process Scale-up
Process scale-up from lab to industrial scale
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Flexible batch size for diverse industrial demandsRelated Functional Groups
Carbonyl Compounds
Fluorinated Building Blocks
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
Nitrogen Compounds
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
Other Pyrimidines
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
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