2-(3-Fluoro-benzylamino)-ethanol

Base Information

• Chemical Name: 2-(3-Fluoro-benzylamino)-ethanol
• CAS No.: 937688-47-6
• Molecular Formula: C₉H₁₂FNO
• Molecular Weight: 169.199
• DSSTox Substance ID: DTXSID10446354
• Wikidata: Q82264978
• Mol file: 937688-47-6.mol

Synonyms:2-(3-Fluoro-benzylamino)-ethanol;937688-47-6;2-[(3-fluorophenyl)methylamino]ethanol;2-{[(3-fluorophenyl)methyl]amino}ethan-1-ol;2-((3-Fluorobenzyl)amino)ethan-1-ol;SCHEMBL6069853;DTXSID10446354;NNDQECFRHRMOST-UHFFFAOYSA-N;AKOS000320693;AM101663;CS-0269163;EN300-179080

Chemical Property of 2-(3-Fluoro-benzylamino)-ethanol

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 169.090292168
• Heavy Atom Count: 12
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

2-(3-Fluoro-benzylamino)-ethanol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)CNCCO

Technology Process of 2-(3-Fluoro-benzylamino)-ethanol

There total 4 articles about 2-(3-Fluoro-benzylamino)-ethanol 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:

ethanolamine (141-43-5) + 3-Fluorobenzaldehyde (456-48-4) → 2-((3-fluorophenyl)amino)ethane-1-ol (937688-47-6)

Guidance literature:

ethanolamine; 3-Fluorobenzaldehyde; In methanol; at 20 ℃; for 0.25h;

With sodium tetrahydroborate; In methanol; at 0 ℃; for 2h;

Reference yield:

(3-fluorophenyl)methanamine (100-82-3) + 2-chloro-ethanol (107-07-3) → 2-((3-fluorophenyl)amino)ethane-1-ol (937688-47-6)

Guidance literature:

(3-fluorophenyl)methanamine; 2-chloro-ethanol; In water; for 5h; Heating / reflux;

With sodium hydroxide; In water; for 0.5h; Heating / reflux;

Reference yield:

2-{[1-(3-Fluoro-phenyl)-meth-(E)-ylidene]-amino}-ethanol → 2-((3-fluorophenyl)amino)ethane-1-ol (937688-47-6)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 5 - 20 ℃;

DOI:10.1021/jm0108698

upstream raw materials:

3-Fluorobenzaldehyde

(3-fluorophenyl)methanamine

2-chloro-ethanol

ethanolamine