2-Amino-1-(3-fluorophenyl)ethanol

Base Information

• Chemical Name: 2-Amino-1-(3-fluorophenyl)ethanol
• CAS No.: 402-96-0
• Molecular Formula: C8H10FNO
• Molecular Weight: 155.17000
• Hs Code.: 2922199090
• European Community (EC) Number: 835-047-3
• DSSTox Substance ID: DTXSID20275374
• Nikkaji Number: J532.124G
• ChEMBL ID: CHEMBL4563769
• Mol file: 402-96-0.mol

Synonyms:2-amino-1-(3-fluorophenyl)ethanol;402-96-0;2-amino-1-(3-fluorophenyl)ethan-1-ol;2-Amino-1-[3-fluorophenyl]ethanol;SCHEMBL937543;CHEMBL4563769;DTXSID20275374;MFCD09041574;AKOS000123610;AKOS016051395;2-(3-fluorophenyl)-2-hydroxyethanamine;2-hydroxy-2-(3-fluorophenyl)ethanamine;2-hydroxy-2-(3-fluorophenyl) ethanamine;AS-48381;CS-0452165;EN300-56380;F30607;2-Amino-1-(3-fluorophenyl)ethan-1-ol, AldrichCPR;F2189-0843

Chemical Property of 2-Amino-1-(3-fluorophenyl)ethanol

Chemical Property:

• PSA: 46.25000
• LogP: 1.51810
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 155.074642105
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

98%min ^*data from raw suppliers

2-Amino-1-(3-fluorophenyl)ethanolHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)C(CN)O

Technology Process of 2-Amino-1-(3-fluorophenyl)ethanol

There total 7 articles about 2-Amino-1-(3-fluorophenyl)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:

trimethylsilyl cyanide (7677-24-9) + 3-Fluorobenzaldehyde (456-48-4) → 2-hydroxy-2-(3-fluorophenyl)-ethanamine (402-96-0,31416-87-2) + 2-{2-[4-(2-Hydroxyethyl)phenoxy]-1-methylethyl}amino-1-(3-chlorophenyl)ethanol

Guidance literature:

zinc diiodide; In tetrahydrofuran;

Reference yield:

3-Fluorobenzaldehyde (456-48-4) → 2-hydroxy-2-(3-fluorophenyl)-ethanamine (402-96-0,31416-87-2)

Guidance literature:

Multi-step reaction with 4 steps

1: aq. AcOH; NaOH / ethanol

2: imidazole / CH₂Cl₂

3: H₂ / Raney nickel / methanol

4: Bu₄NF / tetrahydrofuran

With 1H-imidazole; sodium hydroxide; tetrabutyl ammonium fluoride; hydrogen; acetic acid; nickel; In tetrahydrofuran; methanol; ethanol; dichloromethane;

DOI:10.1016/j.bmcl.2006.11.041

Reference yield:

1-(3-fluorophenyl)-2-nitroethan-1-ol → 2-hydroxy-2-(3-fluorophenyl)-ethanamine (402-96-0,31416-87-2)

Guidance literature:

Multi-step reaction with 3 steps

1: imidazole / CH₂Cl₂

2: H₂ / Raney nickel / methanol

3: Bu₄NF / tetrahydrofuran

With 1H-imidazole; tetrabutyl ammonium fluoride; hydrogen; nickel; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1016/j.bmcl.2006.11.041

upstream raw materials:

3-Fluorobenzaldehyde

trimethylsilyl cyanide

2-(3-fluorophenyl)-2-((trimethylsilyl)oxy)acetonitrile

Refernces

• 1、 -. "PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS". Page/Page column 42. . Retrieved 2010/11/30.
• 2、 -. "Aromatic amino-alcohol derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic uses". . . Retrieved 2008/06/13.