104774-87-0

Basic information

• Product Name: 3-(3-TRIFLUOROMETHYL-PHENYL)-PROPYLAMINE
• Synonyms: RARECHEM AL BW 1078;3-(3-TRIFLUOROMETHYL-PHENYL)-PROPYLAMINE;3-(3-(TRIFLUOROMETHYL)PHENYL)PROPAN-1-AMINE;3-(TrifluoroMethyl)-benzenepropanaMine;3-[3-(Trifluoromethyl)phenyl]-1-propanamine
• CAS NO: 104774-87-0
• Molecular Formula: C₁₀H₁₂F₃N
• Molecular Weight: 203.2
• Mol File: 104774-87-0.mol

Chemical Properties

• Boiling Point: 222.2±40.0 °C(Predicted)
• Appearance: /
• Density: 1.154±0.06 g/cm3(Predicted)
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• PKA: 10.20±0.10(Predicted)
• CAS DataBase Reference: 3-(3-TRIFLUOROMETHYL-PHENYL)-PROPYLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(3-TRIFLUOROMETHYL-PHENYL)-PROPYLAMINE(104774-87-0)
• EPA Substance Registry System: 3-(3-TRIFLUOROMETHYL-PHENYL)-PROPYLAMINE(104774-87-0)

Safety Data

• Hazardous Substances Data: 104774-87-0(Hazardous Substances Data)

Usage

Uses

Used in Chemical Research:
3-(3-TRIFLUOROMETHYL-PHENYL)-PROPYLAMINE is used as a building block for the synthesis of other compounds, serving as a key component in the creation of new chemical entities.
Used in Pharmaceutical Development:
In the pharmaceutical industry, 3-(3-TRIFLUOROMETHYL-PHENYL)-PROPYLAMINE is used as a precursor in the development of new drugs, leveraging its unique structure to contribute to the design of innovative medicinal agents.
Used in Agrochemical Production:
3-(3-TRIFLUOROMETHYL-PHENYL)-PROPYLAMINE may be utilized in the production of agrochemicals, where its chemical properties could be harnessed to develop new pesticides or other agricultural products.
Used in Materials Science:
3-(3-TRIFLUOROMETHYL-PHENYL)-PROPYLAMINE also has potential applications in materials science, where its unique properties could be employed in the development of novel materials with specific characteristics for various uses.

Upstream product

• 93040-58-5 T₀₅₀₂-9046 
• 535-53-5 3-(3-trifluoromethyl-phenyl)-propionic acid amide 
• 95096-06-3 3-(3-(trifluoromethyl)phenyl)propanenitrile 
• 454-89-7 3-Trifluoromethylbenzaldehyde 
• 95728-83-9 3-[3-(trifluoromethyl)phenyl]-2-propenenitrile 
• 401-78-5 3-bromo-1-trifluoromethylbenzene 
• 60689-14-7 3-(3-(trifluoromethyl)phenyl)acryloyl chloride 
• 779-89-5 3-(trifluoromethyl)cinnamic acid 
• 64380-24-1 (E)-3-(3-(trifluoromethyl)phenyl)acrylamide 
• 60689-14-7 trans-3-(trifluoromethyl)cinnamoyl chloride 

Downstream Products

• 364782-34-3 cinacalcet hydrochloride 
• 226256-56-0 cinacalcet 
• 2074615-22-6 C₂₂H₂₂F₃N 
• 802918-46-3 [1-(7,8-dihydro-naphthalen-1-yl)-ethyl]-[3-(3-trifluoromethyl-phenyl)-propyl]-amine 
• 802918-47-4 [1-(5,6-dihydronaphthalen-1-yl)ethyl]-[3-(3-trifluoromethylphenyl)propyl]amine 
• 802918-36-1 [(R)-1-(5,6-Dihydro-naphthalen-1-yl)-ethyl]-[3-(3-trifluoromethyl-phenyl)-propyl]-amine 
• 802918-36-1 [(S)-1-(5,6-Dihydro-naphthalen-1-yl)-ethyl]-[3-(3-trifluoromethyl-phenyl)-propyl]-amine 
• 1020414-33-8 [1-(7,8-dihydronaphthalen-1-yl)-ethyl]-[3-(3-trifluoromethylphenyl)propyl]amine hydrochloride 

Relevant articles and documents

Synthesis of Cinacalcet congeners

Two related substances 1 and 2 of Cinacalet were prepared. Two racemic isomeric dihydronaphthalenes 1 and 2 were prepared from commercially available 5-hydroxytetralone in five linear steps. A key palladium-catalyzed double bond migration led to the synthesis of both isomers from the same starting material. Preparative chiral HPLC separation provided the enantiomerically pure materials. An asymmetric synthesis employing CBS reduction to furnish 1 was also developed.

8-Hydroxyquinolin-2(1H)-one analogues as potential β2-agonists: Design, synthesis and activity study

β2-Agonists that bind to plasmalemmal β2-adrenoceptors causing cAMP accumulation are widely used as bronchodilators in chronic respiratory diseases. Here, we designed and synthesized a group of 8-hydroxyquinolin-2(1H)-one analogues and studied their β2-agonistic activities with a cellular cAMP assay. Compounds B05 and C08 were identified as potent (EC50 2-agonists among the compounds tested. They behaved as partial β2-agonists in non-overexpressed HEK293 cells, and possessed rapid smooth muscle relaxant actions and long duration of action in isolated guinea pig tracheal strip preparations. In summary, B05 and C08 are β2-agonists with potential applicability in chronic respiratory diseases.

Design, synthesis and biological evaluation of 8-(2-amino-1-hydroxyethyl)-6-hydroxy-1,4-benzoxazine-3(4H)-one derivatives as potent β2-adrenoceptor agonists

A series of β2-adrenoceptor agonists with an 8-(2-amino-1-hydroxyethyl)-6-hydroxy-1,4-benzoxazine-3(4H)-one moiety is presented. The stimulatory effects of the compounds on human β2-adrenoceptor and β1-adrenoceptor were characterized by a cell-based assay. Their smooth muscle relaxant activities were tested on isolated guinea pig trachea. Most of the compounds were found to be potent and selective agonists of the β2-adrenoceptor. One of the compounds, (R)-18c, possessed a strong β2-adrenoceptor agonistic effect with an EC50 value of 24 pM. It produced a full and potent airway smooth muscle relaxant effect same as olodaterol. Its onset of action was 3.5 min and its duration of action was more than 12 h in an in vitro guinea pig trachea model of bronchodilation. These results suggest that (R)-18c is a potential candidate for long-acting β2-AR agonists.

Hydrochloric acid [...] and its intermediate synthesis method

The invention discloses a synthesis method of cinacalcet hydrochloride and an intermediate thereof. The cinacalcet hydrochloride is prepared by carrying out asymmetric reduction ammonification on 3-(3-(trifluoromethyl)phenyl)propyl-1-amine and 1-(naphthyl-1-yl)ethyl ketone. The asymmetric reduction ammonification is performed by carrying out asymmetric induction by combining a Hantzsch ester and a chiral phosphine ligand. The 3-(3-(trifluoromethyl)phenyl)propyl-1-amine is prepared by the following steps: carrying out Heck coupling reaction on 3-bromo-1-trifluoromethyl benzene and acrylonitrile to obtain 3-(3-(trifluoromethyl)phenyl)acrylonitrile, and carrying out catalytic hydrogenation. The catalyst of the Heck coupling reaction is tetra(triphenylphosphine) palladium, DBA palladium or palladium acetate. The method for synthesizing cinacalcet hydrochloride greatly lowers the production cost, and is suitable for industrialized mass production. The method for synthesizing the 3-(3-(trifluoromethyl)phenyl)propyl-1-amine greatly lowers the production cost, and has higher yield.

Dihydronaphthalene compounds, compositions, uses thereof, and methods for synthesis

The present invention relates to novel dihydronaphthalene compounds, compositions, methods for using the same, and processes for preparing the same. The present invention also relates to novel total synthesis approaches for preparing these compounds. In addition, the present invention relates to methods of producing quantities of isomers of these compounds and separating and purifying them using chiral separation techniques. The present invention also relates to methods of producing quantities of a single isometric compound without the need for chiral separation techniques.

Bicyclic compound

A novel compound represented by the following formula (1) or a salt thereof: wherein symbol “A” represents a saturated heterocyclic group, a 5-membered heteroaromatic group having two heteroatoms in the ring, a group represented by the formula A1 (R2

Synthesis, structure and quantitative structure-activity relationships of σ receptor ligands, 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazines

A set of the title compounds having different substituents (R1, R2) on their phenyl groups was synthesized to find σ receptor binding affinity. Among the compounds, 2b (R1=R2=Cl) has the most potent σ1-binding activity, while 2a (R1=R2=H, SA4503) was most selective to σ1 over σ2 receptor. The crystal structures of 2a and 2b were shown, by X-ray crystallography, to be similar except for the one torsional angle of their propylene parts. Quantitative structure-activity relationship study suggested the affinity of the compounds to the σ1 receptor was dependent on the electronic feature, Swain-Lupton's R or S(π) that was derived by molecular orbital method, of R1 and R2.

Phenylacetamide derivatives and pharmaceutical compositions thereof

The present invention provides novel phenylacetamide derivatives having the following formula STR1 wherein: X is a hydrogen, halogen, hydroxy, nitro, amino, R1, NR1 R2, NHR1 or OR1 wherein R1/su

Novel phenylacetamide derivatives and processes for the preparation thereof

The present invention provides novel phenylacetamide derivatives having the following formula wherein:, X is a hydrogen, halogen, hydroxy, nitro, amino, R1, NR1R2, NHR1 or OR1 wherein R1 and R2 are an optionally substituted C1 8 alky