4-(Cyanomethyl)-2-methoxyphenyl acetate

Base Information

• Chemical Name: 4-(Cyanomethyl)-2-methoxyphenyl acetate
• CAS No.: 5438-51-7
• Molecular Formula: C11H11 N O3
• Molecular Weight: 205.213
• Hs Code.: 2926909090
• NSC Number: 16695
• DSSTox Substance ID: DTXSID40280389
• Nikkaji Number: J31.330K
• Wikidata: Q82013664
• Mol file: 5438-51-7.mol

Synonyms:4-(cyanomethyl)-2-methoxyphenyl acetate;5438-51-7;[4-(cyanomethyl)-2-methoxyphenyl] acetate;[4-(cyanomethyl)-2-methoxy-phenyl] acetate;MFCD22421594;NSC16695;DTXSID40280389;NSC 16695;NSC-16695;AKOS015998773;4-(cyanomethyl)-2-methoxyphenylacetate;CS-11473;SY022044;AM20040681;CS-0315846;FT-0688387;Acetic acid 4-cyanomethyl-2-methoxyphenyl ester;Benzeneacetonitrile, 4-(acetyloxy)-3-methoxy-;Acetonitrile, (4-hydroxy-3-methoxyphenyl)-,acetate

Chemical Property of 4-(Cyanomethyl)-2-methoxyphenyl acetate

Chemical Property:

• Vapor Pressure: 0.000423mmHg at 25°C
• Boiling Point: 316°Cat760mmHg
• Flash Point: 137.3°C
• PSA: 59.32000
• Density: 1.157g/cm³
• LogP: 1.68658
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 205.07389321
• Heavy Atom Count: 15
• Complexity: 268

Purity/Quality:

99% ^*data from raw suppliers

4-(cyanomethyl)-2-methoxyphenylacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Cyanomethyl)-2-methoxyphenyl acetate

There total 2 articles about 4-(Cyanomethyl)-2-methoxyphenyl acetate 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:

→ (4-acetoxy-3-methoxy-phenyl)-acetonitrile (5438-51-7)

Guidance literature:

With acetic anhydride;

DOI:10.1021/ja01197a065

Reference yield:

(4-hydroxy-3-methoxy-phenyl)-acetaldehyde-oxime (86200-91-1) + acetic anhydride (108-24-7) → (4-acetoxy-3-methoxy-phenyl)-acetonitrile (5438-51-7)

Guidance literature:

Reference yield:

(4-acetoxy-3-methoxy-phenyl)-acetonitrile (5438-51-7) → 3-Methoxytyramine (554-52-9)

Guidance literature:

With sulfuric acid; acetic acid; platinum; Hydrogenation;

upstream raw materials:

(4-hydroxy-3-methoxy-phenyl)-acetaldehyde-oxime

acetic anhydride

Downstream raw materials:

3-Methoxytyramine

Homovanillic acid

4-hydroxy-3-methoxyphenylacetonitrile

2-propanone,1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-