N-Benzyl-2-fluoroethan-1-amine

Base Information

• Chemical Name: N-Benzyl-2-fluoroethan-1-amine
• CAS No.: 122974-04-3
• Molecular Formula: C9H12FN
• Molecular Weight: 153.199
• DSSTox Substance ID: DTXSID20603198
• Nikkaji Number: J3.061.744D
• Wikidata: Q82500504
• Mol file: 122974-04-3.mol

Synonyms:N-benzyl-2-fluoroethanamine;122974-04-3;BENZYL-(2-FLUORO-ETHYL)-AMINE;Benzyl(2-fluoroethyl)amine;N-(2-fluoroethyl)benzylamine;N-Benzyl-2-fluoroethan-1-amine;SCHEMBL1847756;DTXSID20603198;QEDZNQOBLQGNBX-UHFFFAOYSA-N;AKOS006304505;EN300-4292668

Chemical Property of N-Benzyl-2-fluoroethan-1-amine

Chemical Property:

• PSA: 12.03000
• LogP: 2.13660
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 153.095377549
• Heavy Atom Count: 11
• Complexity: 89.6

Purity/Quality:

BENZYL-(2-FLUORO-ETHYL)-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNCCF

Technology Process of N-Benzyl-2-fluoroethan-1-amine

There total 3 articles about N-Benzyl-2-fluoroethan-1-amine 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: 54.0%

2-fluoroethylamine hydrochloride (460-08-2) + benzaldehyde (100-52-7) → N-(2-fluoroethyl)benzylamine (122974-04-3)

Guidance literature:

2-fluoroethylamine hydrochloride; benzaldehyde; With potassium hydroxide; In methanol; at 20 ℃; for 0.25h;

With sodium cyanoborohydride; In methanol; for 0.5h; Further stages.;

DOI:10.1002/jlcr.1514

Reference yield: 50.0%

2-fluoroethyl tosylate (383-50-6) + benzylamine (100-46-9) → N-(2-fluoroethyl)benzylamine (122974-04-3)

Guidance literature:

In acetonitrile; at 90 ℃; for 12h; Inert atmosphere;

Reference yield:

C9H10FN → N-(2-fluoroethyl)benzylamine (122974-04-3)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; methanol;

DOI:10.1039/c2cc31009k

upstream raw materials:

2-fluoroethylamine hydrochloride

benzaldehyde

2-fluoroethyl tosylate

benzylamine

Downstream raw materials:

C₉H₁₂FN*ClH

C₁₄H₂₀FNO₂

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