460-39-9

Basic information

• Product Name: 3,3,3-TRIFLUOROPROPYLAMINE
• Synonyms: 3,3,3-TRIFLUOROPROPYL-1-AMINE;3,3,3-TRIFLUOROPROPYLAMINE;3,3,3-trifluoro-1-propanamin;3,3,3-trifluoro-propylamin;CF3CH2CH2NH2;gamma,gamma,gamma-Trifluoropropylamine;Trifluoropropylamine;3,3,3-Trifluoropropylamine97%
• CAS NO: 460-39-9
• Molecular Formula: C₃H₆F₃N
• Molecular Weight: 113.08
• Mol File: 460-39-9.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 30.6 °C at 760 mmHg
• Appearance: /
• Density: 1.152g/cm³
• Vapor Pressure: 616mmHg at 25°C
• Refractive Index: 1.328
• PKA: 8.18±0.10(Predicted)
• CAS DataBase Reference: 3,3,3-TRIFLUOROPROPYLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3,3-TRIFLUOROPROPYLAMINE(460-39-9)
• EPA Substance Registry System: 3,3,3-TRIFLUOROPROPYLAMINE(460-39-9)

Safety Data

• Hazard Codes: C
• Statements: 41
• Safety Statements: 26-39
• Hazardous Substances Data: 460-39-9(Hazardous Substances Data)

Usage

General Description

3,3,3-Trifluoropropylamine is a chemical compound with the molecular formula C3H6F3N. It is a colorless liquid with a strong ammonia-like odor and is highly flammable. It is primarily used as a building block in the production of various other chemicals, including pharmaceuticals, agrochemicals, and surfactants. It is also used as a reagent in organic synthesis and as a solvent in chemical reactions. 3,3,3-Trifluoropropylamine is considered to be a hazardous substance and should be handled with caution due to its flammability and potential health effects if not properly managed.

InChI:InChI=1/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2

Upstream product

• 107-95-9 3-amino propanoic acid 
• 460-37-7 1,1,1-trifluoro-3-iodopropane 
• 96650-83-8 1,2,3,4,9,9a-hexahydro-4AH-fluoren-4a-amine 
• 460-75-3 3,3,3-trifluoropropionamide 
• 75-38-7 Vinylidene fluoride 
• 100-97-0 hexamethylenetetramine 
• 347190-33-4 2-(3,3,3-trifluoropropyl)isoindoline-1,3-dione 
• 406-91-7 4,4,4-trifluorobutanoyl chloride 
• 460-35-5 3-chloro-1,1,1-trifluoropropane 

Downstream Products

• 1256968-91-8 C₁₆H₁₂F₃N₃O₃ 
• 1032464-67-7 C₁₀H₉F₄NO₄S 
• 910484-21-8 6-chloro-4-(4-bromophenyl)-4-hydroxy-3-(2,2,2-trifluoroethyl)-3,4-dihydroquinazolin-2(1H)-one 
• 910484-15-0 N-[3,4-difluoro-2-(4-fluorobenzoyl)phenyl]-N'-(2,2,2-trifluoroethyl)urea 
• 910484-16-1 5,6-difluoro-4-(4-fluorophenyl)-4-hydroxy-3-(2,2,2-trifluoroethyl)-3,4-dihydroquinazolin-2(1H)-one 
• 910484-13-8 6-chloro-4-(4-fluorophenyl)-4-hydroxy-3-(2,2,2-trifluoroethyl)-3,4-dihydroquinazolin-2(1H)-one 
• 910484-23-0 N-[4-chloro-2-(cyclopropylcarbonyl)phenyl]-N'-(2,2,2-trifluoroethyl)urea 
• 910484-11-6 6-fluoro-4-hydroxy-4-phenyl-3-(2,2,2-trifluoroethyl)-3,4-dihydroquinazolin-2(1H)-one 
• 910484-10-5 6-chloro-4-hydroxy-4-phenyl-3-(2,2,2-trifluoroethyl)-3,4-dihydroquinazolin-2(1H)-one 
• 74788-86-6 1-(3,3,3-trifluoropropyl)-3-cyclohexylurea 
• 114467-01-5 C₉H₉F₃NO₃S*H⁽¹⁺⁾ 

Relevant articles and documents

Inhibitors of phenylethanolamine N-methyltransferase that are predicted to penetrate the blood-brain barrier: Design, synthesis, and evaluation of 3-fluoromethyl-7-(N-substituted aminosulfonyl)-1,2,3,4-tetrahydroisoquinolines that possess low affinity toward the α2-adrenoceptor

(±)-7-Aminosulfonyl-3-fluoromethyl-1,2,3,4-tetrahydroisoquinoline (7) is one of the most potent and selective inhibitors of phenylethanolamine N-methyltransferase (PNMT) reported to date, but a blood-brain barrier (BBB) model indicates that it cannot penetrate the BBB. To increase the lipophilicity of 7 by addition of a nonpolar substituent to the sulfonamide nitrogen, a small library of (±)-3-fluoromethyl-7-(N-substituted aminosulfonyl)-1,2,3,4- tetrahydroisoquinolines was synthesized and evaluated as inhibitors of PNMT and for affinity at the α2-adrenoceptor. In addition, this library probed the PNMT active site surrounding the sulfonamide nitrogen of 7. Bulky substituents on the sulfonamide nitrogen are disfavored at the PNMT active site more so than at the α2-adrenoceptor (thus reducing selectivity). On the other hand, alkyl chains on the sulfonamide nitrogen that contain an electron dense atom, such as a fluorine, are favored in the PNMT active site and possess little α2-adrenoceptor affinity, thereby conferring good selectivity (>500). Several members of the library (8, 14, 17, and 18) have excellent PNMT inhibitory potency and selectivity and are predicted, on the basis of their ClogP value (>0.5), to penetrate the BBB to a significant extent. Compounds 17 and 18 are the most potent and selective PNMT inhibitors reported to date.

Structural Effects on the Transition States of Imine-Forming Eliminations in N-Substituted O-(Arylsulfonyl)hydroxylamines

A series of amines with various alkyl and aryl substituents at C-1 were converted to the corresponding N-(arylsulfonoxy)amines, which served as precursors for base-promoted, imine-forming elimination.By varying the bases used to promote the elimination and by varying the leaving groups attached to nitrogen, the Broensted parameters β and βlgCH3 were determined.These were used to locate the transition state on the More O'Ferrall-Jencks energy surface for elimination.Substituents were found to influence the structure of the activated complex markedly.Resonance effects were most important, while inductive effects had little influence .

CNS-Depressant pyrazolopyridines

Compounds of the formula (I): STR1 wherein R1, R3, R4, R7 and R8 are as described herein, D is oxygen or NR6, n is 1 or 2 and the physiologically acceptable salts thereof useful in reducing anxiety in an animal such as man. The compounds are potent anxiolytics having reduced side effects compared to known anxiolytics. Also pharmaceutical compositions, intermediates and methods of treatment and synthesis are described.