3048-01-9

Basic information

• Product Name: 2-(TRIFLUOROMETHYL)BENZYLAMINE
• Synonyms: 2-(TRIFLUOROMETHYL)BENZYLAMINE;2-(AMINOMETHYL)BENZOTRIFLUORIDE;O-TRIFLUOROMETHYLBENZYL AMINE;RARECHEM AL BW 0156;TIMTEC-BB SBB006694;2-(Trifluoromethyl)benzylamine, 97+%;2-(Trifluoromethyl)benzylamine98%;2-(Trifluoromethyl)benzenemethanamine
• CAS NO: 3048-01-9
• Molecular Formula: C₈H₈F₃N
• Molecular Weight: 175.15
• EINECS: 221-258-2
• Product Categories: Amines and Anilines;Amine;API intermediates;Fluorine series
• Mol File: 3048-01-9.mol

Chemical Properties

• Boiling Point: 108-110°C 64mm
• Flash Point: 157 °F
• Appearance: Clear colorless to light yellow/Liquid
• Density: 1.249 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.971mmHg at 25°C
• Refractive Index: n20/D 1.471(lit.)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 8.27±0.10(Predicted)
• Sensitive: Air Sensitive
• BRN: 1103424
• CAS DataBase Reference: 2-(TRIFLUOROMETHYL)BENZYLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(TRIFLUOROMETHYL)BENZYLAMINE(3048-01-9)
• EPA Substance Registry System: 2-(TRIFLUOROMETHYL)BENZYLAMINE(3048-01-9)

Safety Data

• Hazard Codes: C
• Statements: 22-34-52/53
• Safety Statements: 26-36/37/39-45-61
• RIDADR: UN 2735 8/PG 3
• WGK Germany: 2
• F: 10-34
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 3048-01-9(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless to light yellow liquid

InChI:InChI=1/C8H8F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H,5,12H2/p+1

Upstream product

• 447-60-9 2-(trifluoromethyl)benzonitrile 
• 360-64-5 2-(trifluoromethyl)benzamide 
• 395-44-8 o-trifluoromethylbenzyl bromide 
• 823189-03-3 1-(azidomethyl)-2-(trifluoromethyl)benzene 
• 100-46-9 benzylamine 
• 447-61-0 2-Trifluoromethylbenzaldehyde 

Downstream Products

• 14629-40-4 N-(2-Trifluoromethyl-benzyl)-guanidine 
• 61290-78-6 1-(2-Hydroxy-ethyl)-1-methyl-3-(2-trifluoromethyl-benzyl)-thiourea 
• 51929-59-0 1-(isothiocyanatomethyl)-2-(trifluoromethyl)benzene 
• 447-61-0 2-Trifluoromethylbenzaldehyde 
• 169782-16-5 3-nitro-N-[[2-(trifluoromethyl)phenyl]methyl]pyridin-4-amine 
• 185808-43-9 5-(2,4-dioxo-thiazolidin-5-ylidenemethyl)-2-methoxy-N-(2-trifluoromethyl-benzyl)-benzamide 
• 105946-57-4 N,N'-bis(3-bromophenyl)urea 

Relevant articles and documents

A State-of-the-Art Heterogeneous Catalyst for Efficient and General Nitrile Hydrogenation

Cobalt-doped hybrid materials consisting of metal oxides and carbon derived from chitin were prepared, characterized and tested for industrially relevant nitrile hydrogenations. The optimal catalyst supported onto MgO showed, after pyrolysis at 700 °C, magnesium oxide nanocubes decorated with carbon-enveloped Co nanoparticles. This special structure allows for the selective hydrogenation of diverse and demanding nitriles to the corresponding primary amines under mild conditions (e.g. 70 °C, 20 bar H2). The advantage of this novel catalytic material is showcased for industrially important substrates, including adipodinitrile, picolinonitrile, and fatty acid nitriles. Notably, the developed system outperformed all other tested commercial catalysts, for example, Raney Nickel and even noble-metal-based systems in these transformations.

Cobalt pincer complexes for catalytic reduction of nitriles to primary amines

Various cobalt pincer type complexes 1-6 were applied for the catalytic hydrogenation of nitriles to amines. Among these, catalyst 4 is the most efficient, allowing the reduction of aromatic as well as aliphatic nitriles in moderate to excellent yields.

Stereoelectronic effects in the reaction of aromatic substrates catalysed by: Halomonas elongata transaminase and its mutants

A transaminase from Halomonas elongata and four mutants generated by an in silico-based design were recombinantly produced in E. coli, purified and applied to the amination of mono-substituted aromatic carbonyl-derivatives. While benzaldehyde derivatives were excellent substrates, only NO2-acetophenones were transformed into the (S)-amine with a high enantioselectivity. The different behaviour of wild-type and mutated transaminases was assessed by in silico substrate binding mode studies.

Pd(II)-catalyzed ortho-trifluoromethylation of benzylamines

The Pd(II)-catalyzed ortho-C-H trifluoromethylation of benzylamines has been achieved utilizing an electrophilic CF3 reagent. Additives, such as H2O and Ag2O, were found to be crucial for obtaining good yields. This protoc

Tricyclic Compounds As mPGES-1 Inhibitors

The present invention relates to tricyclic compounds of formula (I) or pharmaceutically acceptable salt thereof as mPGES-1 inhibitors. These compounds are inhibitors of the microsomal prostaglandin E synthase-1 (mPGES-1) enzyme and are therefore useful in the treatment of pain and/or inflammation from a variety of diseases or conditions, such as asthma, osteoarthritis, rheumatoid arthritis, acute or chronic pain and neurodegenerative diseases.

Hydrosiloxane-Ti(OiPr)4: An efficient system for the reduction of primary amides into primary amines as their hydrochloride salts

A simple and useful method for the reduction of primary amides into the corresponding amines using a polymethylhydrosiloxane (PMHS)-Ti(OiPr)4 reducing system is described. Aromatic as well as aliphatic primary amides are reduced in high selectivity and excellent yields. The reduction could proceed via dehydration of the primary amide group into the corresponding nitrile which is then reduced into the corresponding primary amine.

Rapid and convenient microwave-assisted synthesis of primary amines via reductive N-alkylation of methyl carbamate with aldehydes

Microwave-assisted reductive alkylation of methyl carbamate with a range of aldehydes provides, after basic work-up, an experimentally simple, one-pot method for rapid functional group interconversion of structurally diverse aldehydes into primary amines. The method has several advantages over more traditional methods of carrying out this transformation and is particularly amenable to high-throughput synthesis.

2-aminobenzoxazole derivatives and combinatorial libraries thereof

The present invention relates to novel 2-aminobenzoxazole derivative compounds of the following formula: wherein R1 to R4 and Z have the meanings provided herein. The invention further relates to combinatorial libraries containing two or more such compounds, as well as methods of preparing 2-aminobenzoxazole derivative compounds.

Supported nickel-catalyzed hydrogenation of aromatic nitriles under low pressure conditions

Hydrogenation of aromatic nitriles takes place under the mild conditions using supported nickel catalysts to afford amino-methyl-substituted aromatics in good yields.

Process for producing trifluoromethylbenzylamines

The present invention relates to a process for producing a trifluoromethylbenzylamine represented by the general formula (1). This process includes the step of reducing an oxime represented by the general formula (2), where R1represents hydrogen atom, a halogen atom selected from the group consisting of fluorine, chlorine, bromine and iodine, or trifluoromethyl group, where R1is defined as above, and R2represents hydrogen atom, an alkyl group or an aralkyl group. With this process, the trifluoromethylbenzylamine can be produced with high selectivity.