2-(4-Hydroxyphenoxy)propanenitrile

Base Information

• Chemical Name: 2-(4-Hydroxyphenoxy)propanenitrile
• CAS No.: 343866-65-9
• Molecular Formula: C9H9 N O2
• Molecular Weight: 163.17326
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID30442353
• Mol file: 343866-65-9.mol

Synonyms:2-(4-hydroxyphenoxy)propanenitrile;343866-65-9;2-(4-Hydroxyphenoxy)propionitrile;2-(4-hydroxy-phenoxy)-propionitrile;PROPANENITRILE, 2-(4-HYDROXYPHENOXY)- (9CI);SCHEMBL10906948;2-(4-Hydroxyphenoxy)propanitrile;DTXSID30442353;XRUJCYZNRFJMBR-UHFFFAOYSA-N;AKOS010963107;AM20040220

Chemical Property of 2-(4-Hydroxyphenoxy)propanenitrile

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 332.524°C at 760 mmHg
• Flash Point: 154.905°C
• PSA: 53.25000
• Density: 1.177g/cm³
• LogP: 1.68308
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

2-(4-HYDROXYPHENOXY)PROPIONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C#N)OC1=CC=C(C=C1)O

Technology Process of 2-(4-Hydroxyphenoxy)propanenitrile

There total 2 articles about 2-(4-Hydroxyphenoxy)propanenitrile 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:

2-4'-benzyloxyphenoxypropionitrile (23194-54-9) → 2-(4-hydroxyphenoxy)propionitrile (343866-65-9)

Guidance literature:

With boron tribromide-dimethyl sulfide complex; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1021/jm0005149

Reference yield:

4-Benzyloxyphenol (103-16-2) → 2-(4-hydroxyphenoxy)propionitrile (343866-65-9)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / acetone / Heating

2: BBr₃*SMe₂ / CH₂Cl₂ / 2 h / 20 °C

With boron tribromide-dimethyl sulfide complex; potassium carbonate; In dichloromethane; acetone;

DOI:10.1021/jm0005149

Reference yield: 87.0%

2,7-dichloroquinoxaline (59489-31-5) + 2-(4-hydroxyphenoxy)propionitrile (343866-65-9) → 2-[4-(7-chloro-quinoxalin-2-yloxy)-phenoxy]-propionitrile (347162-75-8)

Guidance literature:

With potassium carbonate; In acetonitrile; for 4h; Heating;

DOI:10.1021/jm0005149

upstream raw materials:

2-4'-benzyloxyphenoxypropionitrile

4-Benzyloxyphenol

Downstream raw materials:

2-[4-(7-chloro-quinoxalin-2-yloxy)-phenoxy]-propionitrile

Refernces