(R)-1-(4-fluorophenyl)-N-methylethanamine

Base Information

• Chemical Name: (R)-1-(4-fluorophenyl)-N-methylethanamine
• CAS No.: 672906-68-2
• Molecular Formula: C9H12FN
• Molecular Weight: 153.2
• Hs Code.: 2921199990
• DSSTox Substance ID: DTXSID401258694
• Mol file: 672906-68-2.mol

Synonyms:672906-68-2;(R)-1-(4-fluorophenyl)-N-methylethanamine;(1R)-1-(4-fluorophenyl)-N-methylethanamine;(R)-n-methyl-1-(4-fluorophenyl)ethylamine;[(1R)-1-(4-fluorophenyl)ethyl](methyl)amine;Benzenemethanamine,4-fluoro-N,a-dimethyl-, (aR)-;SCHEMBL765372;DTXSID401258694;AKOS006344289;BS-53190;CS-0197364;Y13728;EN300-2991187;(1R)-1-(4-Fluorophenyl)-N-methylethylamine 98%;(alphaR)-4-Fluoro-N,alpha-dimethylbenzenemethanamine;(R)-1-(4-FLUOROPHENYL)-N-METHYLETHAN-1-AMINE

Chemical Property of (R)-1-(4-fluorophenyl)-N-methylethanamine

Chemical Property:

• Vapor Pressure: 0.859mmHg at 25°C
• Refractive Index: 1.489
• Boiling Point: 181.275 °C at 760 mmHg
• PKA: 9.74±0.10(Predicted)
• Flash Point: 63.433 °C
• PSA: 12.03000
• Density: 1.004 g/cm³
• LogP: 2.49700
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 153.095377549
• Heavy Atom Count: 11
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

(R)-N-[1-(4-fluorophenyl)ethyl]methylamine 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (R)-1-(4-fluorophenyl)-N-methylethanamine

There total 4 articles about (R)-1-(4-fluorophenyl)-N-methylethanamine 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:

N-methyl-[1-(4'-fluorophenyl)ethylidene]amine (1227083-63-7) → (S)-1-(4-fluorophenyl)-N-methylethan-1-amine (672906-67-1,574731-02-5) + (R)-1-(4-fluorophenyl)ethylamine N-monomethyl (672906-68-2,574731-02-5)

Guidance literature:

With C₃₄H₃₇FeN₃O₂Si; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In diethyl ether; at 20 - 26 ℃; for 16.7h; Solvent; Temperature; enantioselective reaction;

DOI:10.1002/anie.202006557

Reference yield:

N-methyl-[1-(4'-fluorophenyl)ethylidene]amine (1227083-63-7) → (R)-1-(4-fluorophenyl)ethylamine N-monomethyl (672906-68-2,574731-02-5)

Guidance literature:

With C₃₄H₃₇FeN₃O₂Si; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In hexane; toluene; at -40 - 20 ℃; for 14h; Reagent/catalyst; Solvent; Temperature; enantioselective reaction; Catalytic behavior;

DOI:10.1002/anie.202006557

Reference yield:

1-(4-fluorophenyl)ethanone (403-42-9) → (R)-1-(4-fluorophenyl)ethylamine N-monomethyl (672906-68-2,574731-02-5)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 96 h / 20 °C / Schlenk technique; Sealed tube; Inert atmosphere; Molecular sieve

2: C₃₄H₃₇FeN₃O₂Si; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane / diethyl ether / 16.7 h / 20 - 26 °C

With C₃₄H₃₇FeN₃O₂Si; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In diethyl ether; ethanol;

DOI:10.1002/anie.202006557

upstream raw materials:

N-methyl-[1-(4'-fluorophenyl)ethylidene]amine

1-(4-fluorophenyl)ethanone

Refernces

• 1、 -. "OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME". Page 32. . Retrieved 2010/02/06.