(R)-1-[4-(Trifluoromethyl)phenyl]ethylamine

Base Information

• Chemical Name: (R)-1-[4-(Trifluoromethyl)phenyl]ethylamine
• CAS No.: 578027-35-7
• Molecular Formula: C9H10 F3 N
• Molecular Weight: 189.18
• Hs Code.: 2921490090
• DSSTox Substance ID: DTXSID90356301
• Nikkaji Number: J1.245.134B
• Wikidata: Q72512379
• Mol file: 578027-35-7.mol

Synonyms:578027-35-7;(R)-1-[4-(Trifluoromethyl)phenyl]ethylamine;(1R)-1-[4-(trifluoromethyl)phenyl]ethanamine;(1R)-1-[4-(trifluoromethyl)phenyl]ethylamine;(1R)-1-[4-(trifluoromethyl)phenyl]ethan-1-amine;MFCD06761837;(r)-1-(4-(trifluoromethyl)phenyl)ethylamine;(r)-1-(4-trifluoromethyl-phenyl)-ethylamine;SCHEMBL701658;DTXSID90356301;CS-B0689;AKOS015840227;BS-13851;(R)-1-[4-(Trilfuoromethyl)phenyl]ethylamine;EN300-82561;F16878;A831612;(R)-1-[4-(Trifluoromethyl)phenyl]ethylamine, AldrichCPR;Benzenemethanamine, a-methyl-4-(trifluoromethyl)-, (aR)-

Chemical Property of (R)-1-[4-(Trifluoromethyl)phenyl]ethylamine

Chemical Property:

• Vapor Pressure: 1.61mmHg at 25°C
• Boiling Point: 168.6°C at 760 mmHg
• PKA: 8.56±0.10(Predicted)
• Flash Point: 55.8°C
• PSA: 26.02000
• Density: 1.37g/cm³
• LogP: 3.42540
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 189.07653381
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

(R)-1-[4-(Trifluoromethyl)phenyl]ethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 34-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)C(F)(F)F)N
• Isomeric SMILES: C[C@H](C1=CC=C(C=C1)C(F)(F)F)N

Technology Process of (R)-1-[4-(Trifluoromethyl)phenyl]ethylamine

There total 19 articles about (R)-1-[4-(Trifluoromethyl)phenyl]ethylamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 75.0%

(R)-N-[α-methyl-4-(trifluoromethyl)benzyl] (R)-2-acetoxy-2-phenylethanamide (581812-92-2) → (R)-N-[α-ethyl-4-(trifluoromethyl)benzyl]amine (578027-35-7)

Guidance literature:

With hydrogen bromide; Heating;

DOI:10.1016/j.bmcl.2007.04.105

Reference yield: 73.0%

C21H19F3NOP → (R)-N-[α-ethyl-4-(trifluoromethyl)benzyl]amine (578027-35-7)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; for 3h;

Reference yield: 71.3%

N-((R)-1-(4-(trifluoromethyl)phenyl)ethyl)-2-methylpropane-2-sulfinamide → (R)-N-[α-ethyl-4-(trifluoromethyl)benzyl]amine (578027-35-7)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; methanol; at 20 ℃; for 1h;

upstream raw materials:

(R)-N-(1-(4-trifluoromethylphenyl)ethyl) bis(3,5-dimethylphenyl)phosphinamide

(R)-N-[α-methyl-4-(trifluoromethyl)benzyl] (R)-2-acetoxy-2-phenylethanamide

1-(4-trifluoromethylphenyl)ethanone

1-(4-trifluoromethylphenyl)ethylamine

Downstream raw materials:

5-chloro-1-(2-fluoro-phenyl)-4-formyl-1H-pyrazole-3-carboxylic acid [(R)-1-(4-trifluoromethyl-phenyl)-ethyl]-amide

5-(4-chloro-phenyl)-1-(2-chloro-phenyl)-4-cyanomethyl-1H-pyrazole-3-carboxylic acid [(R)-1-(4-trifluoromethyl-phenyl)-ethyl]-amide

Refernces

• 1、 -. "Asymmetric reduction method of nitrogen-phosphonyl protected imine". . . Retrieved 2021/01/15.
• 2、 Martínez-Montero, Lía,Gotor, Vicente,Gotor-Fernández, Vicente,Lavandera, Iván. "Stereoselective amination of racemic sec-alcohols through sequential application of laccases and transaminases". supporting information. p. 474 - 480. Retrieved 2017/06/23.