(R)-1-(2-fluorophenyl)ethanamine

Base Information

• Chemical Name: (R)-1-(2-fluorophenyl)ethanamine
• CAS No.: 185545-90-8
• Molecular Formula: C₈H₁₀FN
• Molecular Weight: 139.173
• Hs Code.: 2921490090
• European Community (EC) Number: 810-729-3
• DSSTox Substance ID: DTXSID70381257
• Nikkaji Number: J2.467.924A
• Wikidata: Q72475854
• Mol file: 185545-90-8.mol

Synonyms:185545-90-8;(R)-1-(2-fluorophenyl)ethanamine;(R)-1-(2-FLUOROPHENYL)ETHYLAMINE;(1R)-1-(2-fluorophenyl)ethanamine;(1R)-1-(2-fluorophenyl)ethylamine;(1R)-1-(2-fluorophenyl)ethan-1-amine;MFCD03092993;(R)-1-(2-Fluorophenyl)ethan-1-amine;SCHEMBL1003465;DTXSID70381257;DIWHJJUFVGEXGS-ZCFIWIBFSA-N;(R)-1-(2-Fluorophenyl)ethaneamine;AKOS010397617;AKOS015840199;AS-36152;CS-0000328;EN300-112646

Chemical Property of (R)-1-(2-fluorophenyl)ethanamine

Chemical Property:

• Vapor Pressure: 0.926mmHg at 25°C
• Refractive Index: 1.512
• Boiling Point: 179.77 °C at 760 mmHg
• PKA: 8.62±0.10(Predicted)
• Flash Point: 70.242 °C
• PSA: 26.02000
• Density: 1.063 g/cm³
• LogP: 2.54570
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 139.079727485
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

(R)-1-(2-Fluorophenyl)ethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1F)N
• Isomeric SMILES: C[C@H](C1=CC=CC=C1F)N

Technology Process of (R)-1-(2-fluorophenyl)ethanamine

There total 52 articles about (R)-1-(2-fluorophenyl)ethanamine 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: 99.0%

(αS,1'S)-N-(1-Phenylethyl)-2-fluoro-α-methylphenylmethylamine (130562-16-2) → (S)-1-(2-fluorophenyl)ethylamine (68285-25-6,185545-90-8)

Guidance literature:

With hydrogen; benzene-1,2-dicarboxylic acid; palladium on activated charcoal; In methanol; at 60 ℃; for 12h; under 3750.3 Torr;

DOI:10.1246/cl.2004.1424

Reference yield: 95.0%

2'-Fluoroacetophenone (445-27-2) → (R)-2-fluoro-α-methylbenzylamine (185545-90-8)

Guidance literature:

With Ru⁽²⁺⁾*2C₂H₃O₂^(1-)*C₇₇H₁₀₈O₆P₂; hydrogen; sodium acetate; In 2,2,2-trifluoroethanol; at 100 ℃; for 24h; under 42754.3 Torr; enantioselective reaction; Autoclave;

DOI:10.1021/jacs.7b12898

Reference yield: 95.0%

(S)-(-)-2'fluoro-α-methylbenzylamine (S)-mandelic acid salt → (S)-1-(2-fluorophenyl)ethylamine (68285-25-6,185545-90-8)

Guidance literature:

With sodium hydroxide; In dichloromethane; water;

DOI:10.1016/j.tetlet.2007.04.120

upstream raw materials:

(αS,1'S)-N-(1-Phenylethyl)-2-fluoro-α-methylphenylmethylamine

N-[1-(2-Fluoro-phenyl)-ethyl]-oxalamic acid octyl ester

(S)-1-phenyl-ethylamine

[1-(3-Fluoro-phenyl)-eth-(E)-ylidene]-((S)-1-phenyl-ethyl)-amine

Downstream raw materials:

3-{[1-(2-fluorophenyl)ethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

(S)-2,2,2-trifluoro-N-(1-(2-(fluoro)phenyl)ethyl)acetamide

[5-(3-bromophenyl)-5,6,6-trimethyl-4,4-dioxo-5,6-dihydro-4H-4lambda6-[1,4,3]-oxathiazin-2-yl]-[(S)-1-(2-fluorophenyl)ethyl]amine

[(S)-1-(2-fluorophenyl)-ethyl]-(5,6,6-trimethyl-4,4-dioxo-5-phenyl-5,6-dihydro-4H-4lambda6-[1,4,3]-oxathiazin-2-yl)amine

Refernces

• 1、 Gomm, Andrew,Grigoriou, Stylianos,Peel, Christopher,Ryan, James,Mujtaba, Nafees,Clarke, Thomas,Kulcinskaja, Evelina,O'Reilly, Elaine. "Application of “Smart” Amine Donors for Rapid Screening and Scale-Up of Transaminase-Mediated Biotransformations". . p. 5282 - 5284. Retrieved 2018.
• 2、 Heckmann, Christian M.,Paradisi, Francesca. "GPhos Ligand Enables Production of Chiral N-Arylamines in a Telescoped Transaminase-Buchwald-Hartwig Amination Cascade in the Presence of Excess Amine Donor". supporting information. p. 16616 - 16620. Retrieved 2021/10/12.