(2, 5 Dimethoxyphenyl)-hydroxy acetonitrile

Base Information

• Chemical Name: (2, 5 Dimethoxyphenyl)-hydroxy acetonitrile
• CAS No.: 56979-58-9
• Molecular Formula: C₁₀H₁₁NO₃
• Molecular Weight: 193.202
• DSSTox Substance ID: DTXSID501267969
• Mol file: 56979-58-9.mol

Synonyms:(2, 5 dimethoxyphenyl)-hydroxy acetonitrile;56979-58-9;SCHEMBL8726432;WDTQBSLCHUJABA-UHFFFAOYSA-N;DTXSID501267969;alpha-Hydroxy-2,5-dimethoxybenzeneacetonitrile

Chemical Property of (2, 5 Dimethoxyphenyl)-hydroxy acetonitrile

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 223

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)OC)C(C#N)O

Technology Process of (2, 5 Dimethoxyphenyl)-hydroxy acetonitrile

There total 3 articles about (2, 5 Dimethoxyphenyl)-hydroxy acetonitrile 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:

2,5-dimethoxybenzaldehyde (93-02-7) + 2-hydroxy-2-methylpropanenitrile (75-86-5) → 2-(2,5-dimethoxyphenyl)-2-hydroxyacetonitrile (56979-58-9)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; water; at 25 ℃;

DOI:10.1016/j.bioorg.2018.11.017

Reference yield:

potassium cyanide (151-50-8) + 2,5-dimethoxybenzaldehyde (93-02-7) → 2-(2,5-dimethoxyphenyl)-2-hydroxyacetonitrile (56979-58-9)

Guidance literature:

With acetic acid; In water;

DOI:10.1016/j.tet.2005.08.105

Reference yield:

2-(2,5-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile (141367-35-3) → 2-(2,5-dimethoxyphenyl)-2-hydroxyacetonitrile (56979-58-9)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran;

DOI:10.1039/C39890001391

upstream raw materials:

2-(2,5-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile

potassium cyanide

2,5-dimethoxybenzaldehyde

2-hydroxy-2-methylpropanenitrile

Downstream raw materials:

desglymidodrine