2-(2-Fluorophenyl)-2-hydroxyacetonitrile

Base Information

• Chemical Name: 2-(2-Fluorophenyl)-2-hydroxyacetonitrile
• CAS No.: 133721-88-7
• Molecular Formula: C8H6FNO
• Molecular Weight: 151.14
• DSSTox Substance ID: DTXSID90433363
• Mol file: 133721-88-7.mol

Synonyms:2-(2-Fluorophenyl)-2-hydroxyacetonitrile;133721-88-7;AGN-PC-07AEHE;SCHEMBL2163400;DTXSID90433363;AKOS009469932;SB85176

Chemical Property of 2-(2-Fluorophenyl)-2-hydroxyacetonitrile

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.043341977
• Heavy Atom Count: 11
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-(2-Fluorophenyl)-2-hydroxyacetonitrile

There total 5 articles about 2-(2-Fluorophenyl)-2-hydroxyacetonitrile 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:

sodium cyanide (773837-37-9) + 2-Fluorobenzaldehyde (446-52-6) → (+/-)-2-hydroxy-2-(2-fluorophenyl)acetonitrile (133721-88-7,485759-27-1)

Guidance literature:

2-Fluorobenzaldehyde; With sodium hydrogensulfite; In diethyl ether; water; at 20 ℃; for 2h;

sodium cyanide; In diethyl ether; water; at 20 ℃;

DOI:10.1016/j.tetlet.2008.08.090

Reference yield:

2-Fluorobenzaldehyde (446-52-6) → (+/-)-2-hydroxy-2-(2-fluorophenyl)acetonitrile (133721-88-7,485759-27-1)

Guidance literature:

Multi-step reaction with 2 steps

1: ZnI₂

2: aq. HCl / tetrahydrofuran

With hydrogenchloride; zinc(II) iodide; In tetrahydrofuran;

DOI:10.1039/C39890001391

Reference yield:

α-[(trimethylsilyl)oxy]-α-(o-fluorophenyl)acetonitrile (82128-76-5) → (+/-)-2-hydroxy-2-(2-fluorophenyl)acetonitrile (133721-88-7,485759-27-1)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran;

DOI:10.1039/C39890001391

upstream raw materials:

potassium cyanide

2-Fluorobenzaldehyde

α-[(trimethylsilyl)oxy]-α-(o-fluorophenyl)acetonitrile

sodium cyanide

Downstream raw materials:

(R)-2-hydroxy-2-(2-fluorophenyl)acetonitrile

(S)-2-hydroxy-2-(2-fluorophenyl)acetonitrile

cyano(2-fluorophenyl)methyl acetate

methyl 2-(2-fluorophenyl)-2-hydroxyacetate