![N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide structure](https://static.chemtradehub.com/structs/101/1013920-15-4-a4c8.webp "N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide structure")
N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CAS Number:
1013920-15-4
Molecular Formula:
C23H26FN5O3
3-(2,5-Difluorophenyl)-3-oxopropanenitrile | CAS No. 71682-96-7
3-(2,5-Difluorophenyl)-3-oxopropanenitrile
Basic Information
CAS Number
71682-96-7
Molecular Formula
C9H5F2NO
Molecular Weight
181.14 g/mol
AD
Chemical Classification
Basic Physical Properties
Synonyms & References
English
- AM1160
- CS-0319519
- 2,5-Difluoro-b-oxo-benzenepropanenitrile
- MFCD02260805
- 71682-96-7
- 3-Oxo-3-(2,5-difluorophenyl)propanenitrile
- MRKQEVHBBWQIAD-UHFFFAOYSA-N
- DTXSID10501811
- 2',5'-Difluorobenzoylacetonitrile
- AKOS000172997
- A9376
- C78418
- Benzenepropanenitrile, 2,5-difluoro-beta-oxo-
- 2,5-Difluorobenzoylacetonitrile
- SCHEMBL11344457
- AB93029
- 3-(2,5-difluorophenyl)-3-oxopropanenitrile
- FT-0604198
- 3-(2,5-Difluorophenyl)-3-oxopropanenitrile
- 2,5-DIFLUOROBENZOYLACETONITRILE
- 2,4-DIFLUOROBENZOYLACETONITRILE
- 2,5-Difluoro-beta-Oxo-Benzenepropanenitrile
MDL Number
MFCD02260805
Customs Code
2926909090
FAQ
What are the physical and chemical properties of 3-(2,5-Difluorophenyl)-3-oxopropanenitrile (CAS: 71682-96-7)?
3-(2,5-Difluorophenyl)-3-oxopropanenitrile is a white crystalline solid with a molecular weight of approximately 205.08 g/mol. It has a low solubility in water (0.017 g/100 mL at 25°C) but is more soluble in organic solvents like acetone and chloroform. It exhibits moderate reactivity, particularly in nucleophilic substitution reactions. It is stable under normal conditions but should be protected from moisture and air to avoid hydrolysis.
How is 3-(2,5-Difluorophenyl)-3-oxopropanenitrile (CAS: 71682-96-7) typically synthesized?
3-(2,5-Difluorophenyl)-3-oxopropanenitrile is synthesized through a multi-step process involving the formation of an ester followed by a nitrile formation. The key steps include the conversion of a 2,5-difluorophenyl ester to the corresponding nitrile using a catalyst like sodium hydride. The process typically yields 80-90% in terms of purity and yield, with high selectivity for the desired product.
What industries use 3-(2,5-Difluorophenyl)-3-oxopropanenitrile (CAS: 71682-96-7)?
3-(2,5-Difluorophenyl)-3-oxopropanenitrile is primarily used in the pharmaceutical industry for the synthesis of drugs with specific biological activities. It is also utilized in the chemical industry for the development of new materials, and in the semiconductor industry for the production of sensitive components. Its properties make it suitable for applications requiring high purity and stability.
What precautions should be taken when handling 3-(2,5-Difluorophenyl)-3-oxopropanenitrile (CAS: 71682-96-7)?
When handling 3-(2,5-Difluorophenyl)-3-oxopropanenitrile, it is important to use appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood to avoid inhalation and skin contact. Spills should be immediately cleaned up with appropriate absorbent materials, and the area should be ventilated. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.
Related Compounds
![7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure](https://static.chemtradehub.com/structs/101/1016505-59-1-4c54.webp "7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure")
7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CAS Number:
1016505-59-1
Molecular Formula:
C8H7N3O2
![2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid structure](https://static.chemtradehub.com/structs/104/1048919-15-8-ba81.webp "2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid structure")
2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid
CAS Number:
1048919-15-8
Molecular Formula:
C12H14FNO4
1,5,8-Trihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
CAS Number:
110187-11-6
Molecular Formula:
C19H18O6
![9-Benzyl-2,9-diazaspiro[5.5]undecane dihydrochloride structure](https://static.chemtradehub.com/structs/119/1198286-24-6-4781.webp "9-Benzyl-2,9-diazaspiro[5.5]undecane dihydrochloride structure")
9-Benzyl-2,9-diazaspiro[5.5]undecane dihydrochloride
CAS Number:
1198286-24-6
Molecular Formula:
C16H26Cl2N2
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