4-Fluoroamphetamine

Base Information

• Chemical Name: 4-Fluoroamphetamine
• CAS No.: 459-02-9
• Deprecated CAS: 2275-62-9
• Molecular Formula: C9H12FN
• Molecular Weight: 153.199
• Hs Code.: 2921499090
• UNII: S5744XYR1Z
• DSSTox Substance ID: DTXSID90894758
• Nikkaji Number: J50.057G
• Wikipedia: 4-Fluoroamphetamine
• Wikidata: Q229962
• ChEMBL ID: CHEMBL2009392
• Mol file: 459-02-9.mol

Synonyms:1-(2-fluorophenyl)-2-propanamine;2-fluoroamphetamine;4-fluoroamphetamine;4-fluoroamphetamine hydrochloride;4-fluoroamphetamine hydrochloride, (+-)-isomer;4-fluoroamphetamine, (+-)-isomer;4-fluoroamphetamine, (R)-isomer;p-fluoroamphetamine;para-fluoroamphetamine

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of 4-Fluoroamphetamine

Chemical Property:

• Appearance/Colour: White powder
• Refractive Index: 1.4979
• Boiling Point: 215.2 °C at 760 mmHg
• PKA: 9.88±0.10(Predicted)
• Flash Point: 93.6 °C
• PSA: 26.02000
• Density: 1.042 g/cm³
• LogP: 2.41570
• Solubility.: Soluble in ethanol, dimethyl sulfoxide and dimethyl formamide.
• XLogP3: 1.9
• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CC1=CC=C(C=C1)F)N
• Uses: Analog, Designer Drug

Technology Process of 4-Fluoroamphetamine

There total 12 articles about 4-Fluoroamphetamine 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: 78.0%

4-fluorophenyl acetone (459-03-0) → 4-fluoroamphetamine (459-02-9)

Guidance literature:

4-fluorophenyl acetone; With titanium(IV) isopropylate; ammonia; In ethanol; at 25 ℃; for 6h;

With sodium tetrahydroborate; In ethanol; at 25 ℃; for 3h; Further stages.;

DOI:10.1016/j.tet.2003.12.024

Reference yield: 77.0%

1-(4-fluorophenyl)-2-nitropropene (134538-46-8,775-31-5) → 4-fluoroamphetamine (459-02-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 3h; Inert atmosphere; Reflux;

DOI:10.1039/c1ob06251d

Reference yield: 62.0%

4-fluorophenyl acetone (459-03-0) + ammonium acetate (631-61-8,92206-38-7) → 4-fluoroamphetamine (459-02-9)

Guidance literature:

With hydrogenchloride; sodium cyanoborohydride; In methanol; at 20 ℃; for 24h;

DOI:10.1002/adsc.202100351

upstream raw materials:

1-(2-chloropropyl)-4-fluorobenzene

4-fluorophenyl acetone

formamide

1-(4-fluorophenyl)-2-nitropropene

Downstream raw materials:

C₁₂H₁₆FNO₂

(S)‐4‐fluoro‐α‐methylphenethylamine

(R)-(-)-α-methyl-β-(4-fluorophenyl)ethylamine

4-fluorophenyl acetone

Refernces

• 1、 Albarrán-Velo, Jesús,Gotor-Fernández, Vicente,Lavandera, Iván. "Markovnikov Wacker-Tsuji Oxidation of Allyl(hetero)arenes and Application in a One-Pot Photo-Metal-Biocatalytic Approach to Enantioenriched Amines and Alcohols". supporting information. p. 4096 - 4108. Retrieved 2021/08/19.
• 2、 Bommarius, Bettina R.,Schürmann, Martin,Bommarius, Andreas S.. "A novel chimeric amine dehydrogenase shows altered substrate specificity compared to its parent enzymes". . p. 14953 - 14955. Retrieved 2015/02/19.