3-Fluoroamphetamine

Base Information

• Chemical Name: 3-Fluoroamphetamine
• CAS No.: 1626-71-7
• Molecular Formula: C9H12FN
• Molecular Weight: 153.199
• Hs Code.: 2921499090
• UNII: 4KKW6IBP5X
• DSSTox Substance ID: DTXSID40936718
• Nikkaji Number: J71.166G
• Wikipedia: 3-Fluoroamphetamine
• Wikidata: Q4634139
• Mol file: 1626-71-7.mol

Synonyms:3-Fluoroamphetamine;1-(3-fluorophenyl)propan-2-amine;1626-71-7;BRN 2082929;3-FA;PAL-353;m-Fluoro-alpha-methylphenethylamine;UNII-4KKW6IBP5X;4KKW6IBP5X;Phenethylamine, m-fluoro-alpha-methyl-;Benzeneethanamine, 3-fluoro-.alpha.-methyl-;m-fluoroamphetamine;3-FA [NFLIS-DRUG];DL-3-FLUOROAMPHETAMINE;SCHEMBL2561950;DTXSID40936718;AKOS000157540;AB76436;LS-103524;N10878;3-FLUORO-.ALPHA.-METHYLBENZENEETHANAMINE;PHENETHYLAMINE, M-FLUORO-.ALPHA.-METHYL-;Q4634139;(1S)-2-(3-FLUOROPHENYL)-1-METHYLETHYLAMINE

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Chemical Property of 3-Fluoroamphetamine

Chemical Property:

• Vapor Pressure: 0.216mmHg at 25°C
• Refractive Index: 1.509
• Boiling Point: 208.229 °C at 760 mmHg
• PKA: 9.70±0.10(Predicted)
• Flash Point: 89.081 °C
• PSA: 26.02000
• Density: 1.042 g/cm³
• LogP: 2.41570
• 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: 116

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC(=CC=C1)F)N

Technology Process of 3-Fluoroamphetamine

There total 5 articles about 3-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: 72.0%

(3-fluorophenyl)acetone (1737-19-5) + ammonium acetate (631-61-8,92206-38-7) → (±)-1-(3-fluorophenyl)propan-2-amine (1626-71-7)

Guidance literature:

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

DOI:10.1002/adsc.202100351

Reference yield:

1-allyl-3-fluorobenzene (30984-53-3) → (±)-1-(3-fluorophenyl)propan-2-amine (1626-71-7)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloro bis(acetonitrile) palladium(II); 9-(2-mesityl)-10-methylacridinium perchlorate / acetonitrile / 16 h / 20 °C

2: sodium cyanoborohydride; hydrogenchloride / methanol / 24 h / 20 °C

With hydrogenchloride; dichloro bis(acetonitrile) palladium(II); sodium cyanoborohydride; 9-(2-mesityl)-10-methylacridinium perchlorate; In methanol; acetonitrile; 1: |Wacker-Tsuji Olefin Oxidation;

DOI:10.1002/adsc.202100351

Reference yield:

meta-fluoroaniline (372-19-0) → (±)-1-(3-fluorophenyl)propan-2-amine (1626-71-7)

Guidance literature:

Multi-step reaction with 3 steps

1: tert.-butylnitrite / acetonitrile / 30 °C / Inert atmosphere

2: dichloro bis(acetonitrile) palladium(II); 9-(2-mesityl)-10-methylacridinium perchlorate / acetonitrile / 16 h / 20 °C

3: sodium cyanoborohydride; hydrogenchloride / methanol / 24 h / 20 °C

With hydrogenchloride; dichloro bis(acetonitrile) palladium(II); tert.-butylnitrite; sodium cyanoborohydride; 9-(2-mesityl)-10-methylacridinium perchlorate; In methanol; acetonitrile; 2: |Wacker-Tsuji Olefin Oxidation;

DOI:10.1002/adsc.202100351

upstream raw materials:

3-Fluorobenzaldehyde

(3-fluorophenyl)acetone

ammonium acetate

1-allyl-3-fluorobenzene

Downstream raw materials:

(S)‐1‐(4‐methoxyphenyl)propan‐2‐amine

3-fluoroamphetamine

Refernces

• 1、 Wee,Anderson,Baumann,Rothman,Blough,Woolverton, William L.. "Relationship between the serotonergic activity and reinforcing effects of a series of amphetamine analogs". . p. 848 - 854. Retrieved 2007/10/03.