Cas no 749934-28-9 (2-(2-fluoro-4-methoxyphenyl)-2-methylpropanenitrile)
2-(2-Fluoro-4-methoxyphenyl)-2-methylpropanenitrile is a fluorinated aromatic nitrile compound featuring a methoxy substitution at the para position and a fluoro group at the ortho position relative to the propanenitrile moiety. Its unique structural configuration, combining electron-withdrawing (fluoro and nitrile) and electron-donating (methoxy) groups, enhances its utility as a versatile intermediate in pharmaceutical and agrochemical synthesis. The steric hindrance from the tertiary carbon adjacent to the nitrile group improves stability, while the fluorine atom increases lipophilicity and metabolic resistance, making it valuable for designing bioactive molecules. This compound is particularly useful in cross-coupling reactions and as a precursor for heterocyclic frameworks. Its high purity and well-defined reactivity profile ensure consistent performance in complex synthetic pathways.
749934-28-9 structure
Product Name:2-(2-fluoro-4-methoxyphenyl)-2-methylpropanenitrile
CAS No:749934-28-9
MF:C11H12FNO
MW:193.217486381531
CID:561540
PubChem ID:45091498
Update Time:2025-07-02
2-(2-fluoro-4-methoxyphenyl)-2-methylpropanenitrile Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile,2-fluoro-4-methoxy-a,a-dimethyl-
- 2-(2-Fluoro-4-methoxyphenyl)-2-methylpropionitrile
- 2-(2-fluoro-4-methoxyphenyl)-2-methylpropanenitrile
- Benzeneacetonitrile, 2-fluoro-4-methoxy-alpha,alpha-dimethyl- (9CI)
- 749934-28-9
- HVUUIRMIMFXUMJ-UHFFFAOYSA-N
- EN300-1854289
- DTXSID20666844
- SCHEMBL3993767
- 2-(2-Fluoro-4-methoxy-phenyl)-2-methyl-propionitrile
-
- Inchi： 1S/C11H12FNO/c1-11(2,7-13)9-5-4-8(14-3)6-10(9)12/h4-6H,1-3H3
- InChI Key： HVUUIRMIMFXUMJ-UHFFFAOYSA-N
- SMILES： FC1C=C(C=CC=1C(C#N)(C)C)OC
Computed Properties
- Exact Mass: 193.09
- Monoisotopic Mass: 193.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 243
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 33A^2
- XLogP3: 2.6
2-(2-fluoro-4-methoxyphenyl)-2-methylpropanenitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1854289-0.05g |
2-(2-fluoro-4-methoxyphenyl)-2-methylpropanenitrile |
749934-28-9 | 0.05g |
$612.0 | 2023-09-18 | ||
| Enamine | EN300-1854289-0.1g |
2-(2-fluoro-4-methoxyphenyl)-2-methylpropanenitrile |
749934-28-9 | 0.1g |
$640.0 | 2023-09-18 | ||
| Enamine | EN300-1854289-0.25g |
2-(2-fluoro-4-methoxyphenyl)-2-methylpropanenitrile |
749934-28-9 | 0.25g |
$670.0 | 2023-09-18 | ||
| Enamine | EN300-1854289-0.5g |
2-(2-fluoro-4-methoxyphenyl)-2-methylpropanenitrile |
749934-28-9 | 0.5g |
$699.0 | 2023-09-18 | ||
| Enamine | EN300-1854289-1.0g |
2-(2-fluoro-4-methoxyphenyl)-2-methylpropanenitrile |
749934-28-9 | 1g |
$728.0 | 2023-06-02 | ||
| Enamine | EN300-1854289-2.5g |
2-(2-fluoro-4-methoxyphenyl)-2-methylpropanenitrile |
749934-28-9 | 2.5g |
$1428.0 | 2023-09-18 | ||
| Enamine | EN300-1854289-5.0g |
2-(2-fluoro-4-methoxyphenyl)-2-methylpropanenitrile |
749934-28-9 | 5g |
$2110.0 | 2023-06-02 | ||
| Enamine | EN300-1854289-10.0g |
2-(2-fluoro-4-methoxyphenyl)-2-methylpropanenitrile |
749934-28-9 | 10g |
$3131.0 | 2023-06-02 | ||
| Enamine | EN300-1854289-1g |
2-(2-fluoro-4-methoxyphenyl)-2-methylpropanenitrile |
749934-28-9 | 1g |
$728.0 | 2023-09-18 | ||
| Enamine | EN300-1854289-5g |
2-(2-fluoro-4-methoxyphenyl)-2-methylpropanenitrile |
749934-28-9 | 5g |
$2110.0 | 2023-09-18 |
2-(2-fluoro-4-methoxyphenyl)-2-methylpropanenitrile Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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