2-(4-Hydroxy-3,5-dimethoxyphenyl)acetonitrile

Base Information

• Chemical Name: 2-(4-Hydroxy-3,5-dimethoxyphenyl)acetonitrile
• CAS No.: 42973-55-7
• Molecular Formula: C10H11NO3
• Molecular Weight: 193.202
• Hs Code.: 2926909090
• European Community (EC) Number: 674-252-0
• DSSTox Substance ID: DTXSID10374320
• Wikidata: Q82162855
• Mol file: 42973-55-7.mol

Synonyms:42973-55-7;2-(4-hydroxy-3,5-dimethoxyphenyl)acetonitrile;3,5-Dimethoxy-4-hydroxyphenyl acetonitrile;3,5-dimethoxy-4-hydroxyphenylacetonitrile;(4-Hydroxy-3,5-dimethoxyphenyl)acetonitrile;Benzeneacetonitrile,4-hydroxy-3,5-dimethoxy-;DTXSID10374320;MFCD00060308;AKOS006344187;FS-5104;CS-0358726;FT-0639819;2-(4-hydroxy-3,5-dimethoxy-phenyl)acetonitrile;A826093

Chemical Property of 2-(4-Hydroxy-3,5-dimethoxyphenyl)acetonitrile

Chemical Property:

• Vapor Pressure: 1.02E-05mmHg at 25°C
• Melting Point: 68-70 °C
• Refractive Index: 1.541
• Boiling Point: 361.1 °C at 760 mmHg
• Flash Point: 172.2 °C
• PSA: 62.48000
• Density: 1.192 g/cm³
• LogP: 1.47548
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

98%min ^*data from raw suppliers

3,5-dimethoxy-4-hydroxyphenylacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)OC)CC#N

Technology Process of 2-(4-Hydroxy-3,5-dimethoxyphenyl)acetonitrile

There total 3 articles about 2-(4-Hydroxy-3,5-dimethoxyphenyl)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:

1,3-dimethoxy-2-hydroxy-benzene (91-10-1) → 4-hydroxy-3,5-dimethoxyphenylacetonitrile (42973-55-7)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O

2: dimethylformamide

In water; N,N-dimethyl-formamide;

DOI:10.1016/0040-4020(73)80127-9

Reference yield:

2,6-dimethoxy-4-<(N,N-dimethylamino)methyl>phenol (39667-14-6) + potassium cyanide (151-50-8) → 4-hydroxy-3,5-dimethoxyphenylacetonitrile (42973-55-7)

Guidance literature:

In N,N-dimethyl-formamide;

DOI:10.1016/0040-4020(73)80127-9

Reference yield:

→ 4-hydroxy-3,5-dimethoxyphenylacetonitrile (42973-55-7)

Guidance literature:

Methoiodid IV, KCN;

upstream raw materials:

2,6-dimethoxy-4-<(N,N-dimethylamino)methyl>phenol

potassium cyanide

1,3-dimethoxy-2-hydroxy-benzene

Downstream raw materials:

C₂₀H₁₆N₂O₃

C₂₀H₁₆N₂O₃

C₂₀H₁₆N₂O₃

2-(4-isopropoxy-3,5-dimethoxy-phenyl)-ethylamine

Refernces