2-((4-Fluorobenzyl)amino)ethanol

Base Information

• Chemical Name: 2-((4-Fluorobenzyl)amino)ethanol
• CAS No.: 22116-33-2
• Molecular Formula: C9H12FNO
• Molecular Weight: 169.199
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID10394301
• Nikkaji Number: J1.642.712H
• Wikidata: Q72479289
• Mol file: 22116-33-2.mol

Synonyms:22116-33-2;2-((4-Fluorobenzyl)amino)ethanol;2-(4-Fluorobenzylamino)Ethanol;2-[(4-fluorobenzyl)amino]ethanol;2-[(4-fluorophenyl)methylamino]ethanol;2-{[(4-fluorophenyl)methyl]amino}ethan-1-ol;Ethanol, 2-[[(4-fluorophenyl)methyl]amino]-;Ethanol,2-[[(4-fluorophenyl)methyl]amino]-;2-4-fluorobenzylamino)-ethanol;SCHEMBL4599034;2-(4-fluorobenzylamino)-ethanol;DTXSID10394301;KWEPMOQQKUYWIN-UHFFFAOYSA-N;2-(4-Fluoro-benzylamino)-ethanol;AMY20107;BBL023167;MFCD04560903;STL036462;2-((4-fluorobenzyl)amino)ethan-1-ol;AKOS000259890;SB84312;AS-60280;BP-11194;CS-0213398;FT-0638189;C80019;EN300-868988;2-((4-fluorobenzyl)-amino)-ethanol, AldrichCPR;ETHYL(R)-(+)-4-BROMO-3-HYDROXYBUTYRATE;A815935;J-520447

Chemical Property of 2-((4-Fluorobenzyl)amino)ethanol

Chemical Property:

• Vapor Pressure: 0.000924mmHg at 25°C
• Refractive Index: 1.522
• Boiling Point: 290.9 °C at 760 mmHg
• PKA: 14.75±0.10(Predicted)
• Flash Point: 129.7 °C
• PSA: 32.26000
• Density: 1.133 g/cm³
• LogP: 1.29850
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 169.090292168
• Heavy Atom Count: 12
• Complexity: 113

Purity/Quality:

99% ^*data from raw suppliers

2-[(4-Fluorobenzyl)amino]ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CNCCO)F
• Uses: 2-[(4-Fluorobenzyl)amino]ethanol is used in preparation of (Fluorobenzyl)aminomethylmorpholine salt and its application in preparation of mosapride citrate.

Technology Process of 2-((4-Fluorobenzyl)amino)ethanol

There total 4 articles about 2-((4-Fluorobenzyl)amino)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: 90.2%

4-fluorobenzaldehyde (459-57-4) + ethanolamine (141-43-5) → 2-(4-fluoro-benzyl-amino)-ethanol (22116-33-2)

Guidance literature:

4-fluorobenzaldehyde; ethanolamine; In methanol; at 65 ℃; for 4h;

With sodium tetrahydroborate;

Reference yield:

2-{[1-(4-Fluoro-phenyl)-meth-(E)-ylidene]-amino}-ethanol (635283-50-0) → 2-(4-fluoro-benzyl-amino)-ethanol (22116-33-2)

Guidance literature:

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

DOI:10.1021/jm0108698

Reference yield:

4-fluorobenzaldehyde (459-57-4) → 2-(4-fluoro-benzyl-amino)-ethanol (22116-33-2)

Guidance literature:

Multi-step reaction with 2 steps

1: NaHCO₃ / methanol / 4 h / Heating

2: sodium borohydride / methanol / 5 - 20 °C

With sodium tetrahydroborate; sodium hydrogencarbonate; In methanol;

DOI:10.1021/jm0108698

upstream raw materials:

4-fluorobenzaldehyde

ethanolamine

2-{[1-(4-Fluoro-phenyl)-meth-(E)-ylidene]-amino}-ethanol

Downstream raw materials:

1-Chloro-3-[(4-fluoro-benzyl)-(2-hydroxy-ethyl)-amino]-propan-2-ol

4-Fluor-N-<2-fluor-aethyl>-N-<2-hydroxy-aethyl>-benzylamin

4-(4-fluorobenzyl)-2-morpholinecarbonitrile

2-aminomethyl-4-(4-fluoro-benzyl) morpholine

Refernces

• 1、 -. "Citric acid mosapride intermediate product and application". Paragraph 0039; 0040. . Retrieved 2018/09/08.
• 2、 Ji, Haitao,Li, Huiying,Martásek, Pavel,Roman, Linda J.,Poulos, Thomas L.,Silverman, Richard B.. "Discovery of highly potent and selective inhibitors of neuronal nitric oxide synthase by fragment hopping". supporting information; experimental part. p. 779 - 797. Retrieved 2009/12/07.