(S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzaMide | CAS No. 1174130-61-0
(S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzaMide
Basic Information
CAS Number
1174130-61-0
Molecular Formula
C26H27FN2O2
Molecular Weight
418.51 g/mol
AD
Chemical Classification
Basic Physical Properties
Solubility
Insuluble (2.0E-4 g/L) (25 ºC),
Safety Information
View Safety InformationHazard Statement
H302
Harmful if swallowed
Acute toxicity, oral
Acute toxicity, oral
H315
Causes skin irritation
Skin corrosion/irritation
Skin corrosion/irritation
H319
Causes serious eye irritation
Serious eye damage/eye irritation
Serious eye damage/eye irritation
H335
May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation
Synonyms & References
English
- (S)-4-(4-((2-(3,5-dimethylphenyl)pyrrolidin-1-yl)methyl)phenoxy)-3-fluorobenzamide
- 4-[4-[[(2S)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluorobenzamide
- CERC 501
- LY 2456302
- Aticaprant
- MS-27322
- DB12341
- 4-(4-{[(2S)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl}phenoxy)-3-fluorobenzamide
- CHEMBL1921847
- DE4G8X55F5
- MFCD22572355
- 4-[4-[[(2S)-2-(3,5-Dimethylphenyl)-1-pyrrolidinyl]methyl]phenoxy]-3-fluorobenzamide
- CERC-501; LY-2456302
- CERC-501
- JSPA0658
- Benzamide, 4-(4-(((2S)-2-(3,5-dimethylphenyl)-1-pyrrolidinyl)methyl)phenoxy)-3-fluoro-
- NS00072576
- DB-353665
- HY-101718
- AC-36176
- DTXSID90151777
- D11831
- JNJ-67953964
- 1174130-61-0
- CS-6653
- (s)-3-fluoro-4-(4-((2-(3,5-dimethylphenyl)pyrrolidin-1yl)methyl)-phenoxy)benzamide
- Aticaprant [USAN]
- CERC-501(LY-2456302,Aticaprant)?
- Aticaprant (USAN/INN)
- ATICAPRANT [INN]
- WHO 10582
MDL Number
MFCD22572355
FAQ
What are the physical and chemical properties of (S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzamide (CAS: 1174130-61-0)?
(S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzamide is a crystalline compound with a molecular weight of approximately 447.48 g/mol. It has a melting point of 181-183°C and is sparingly soluble in water but more soluble in organic solvents like DMSO and DMF. This compound is stable under normal conditions but reacts readily with strong acids and bases. Its reactivity is influenced by the presence of functional groups such as the fluorine atom and the amide linkage.
How is (S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzamide (CAS: 1174130-61-0) typically synthesized?
(S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzamide is synthesized through a multi-step process involving the coupling of a fluorobenzamide with a pyrrolidine derivative. The synthesis typically uses a palladium catalyst for the cross-coupling reaction, followed by amination to introduce the pyrrolidine moiety. The final product is obtained with high yield and good selectivity.
What industries use (S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzamide (CAS: 1174130-61-0)?
(S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzamide is primarily used in the pharmaceutical industry for its potential in drug development. It may also find applications in the polymer industry for specific chemical functionalities, and in sensor technologies due to its reactivity and functional groups.
What precautions should be taken when handling (S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzamide (CAS: 1174130-61-0)?
When handling (S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzamide, ensure you wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation of any vapors. In case of spill, use appropriate absorbent materials and follow standard laboratory safety protocols. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.
Related Compounds
![N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure](https://static.chemtradehub.com/structs/103/103687-96-3-8086.webp "N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure")
N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine
CAS Number:
103687-96-3
Molecular Formula:
C17H19NO5S
![5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure](https://static.chemtradehub.com/structs/112/112897-99-1-d1f4.webp "5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure")
5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine
CAS Number:
112897-99-1
Molecular Formula:
C30H31N3O7
![(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure](https://static.chemtradehub.com/structs/121/121055-10-5-583d.webp "(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure")
(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile
CAS Number:
121055-10-5
Molecular Formula:
C17H17NO4
![Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure](https://static.chemtradehub.com/structs/126/1263059-26-2-d6da.webp "Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure")
Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate
CAS Number:
1263059-26-2
Molecular Formula:
C8H6ClN3O2
You might also like
Compound Q&A
What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?
6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...
21889-89-46-Methyl-7-oxabicycl...
Compound Q&A
What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?
4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...
906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A
What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?
2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...
49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A
What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?
2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...
24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A
What is 2-Oxopropanamide (CAS: 631-66-3)?
2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...
631-66-32-Oxopropanamide
Compound Q&A
What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?
2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...
1289040-88-52-Methyl-2-propanyl ...
Compound Q&A
What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?
NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...
2241019-57-6NAMPT inhibitor-link...
Compound Q&A
What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?
It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...
1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A
What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?
1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...
794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A
What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?
Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...
1314981-48-0Vinyl(chloromethyl)d...
