2-(3-Methoxyphenoxy)acetonitrile

Base Information

• Chemical Name: 2-(3-Methoxyphenoxy)acetonitrile
• CAS No.: 50635-23-9
• Molecular Formula: C9H9NO2
• Molecular Weight: 163.176
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID40452928
• Wikidata: Q82273830
• Mol file: 50635-23-9.mol

Synonyms:2-(3-methoxyphenoxy)acetonitrile;50635-23-9;Acetonitrile, (3-methoxyphenoxy)-;MFCD01861402;m-methoxyphenoxyacetonitrile;SCHEMBL8195567;DTXSID40452928;AKOS000193783;AS-32117;SY010987;(3-Methoxyphenoxy)acetonitrile, AldrichCPR;CS-0452994;FT-0759681;A871491

Chemical Property of 2-(3-Methoxyphenoxy)acetonitrile

Chemical Property:

• PSA: 42.25000
• LogP: 1.59758
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

98%min ^*data from raw suppliers

2-(3-Methoxyphenoxy)acetonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=CC=C1)OCC#N

Technology Process of 2-(3-Methoxyphenoxy)acetonitrile

There total 4 articles about 2-(3-Methoxyphenoxy)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: 53.0%

O-methylresorcine (150-19-6) + chloroacetonitrile (107-14-2) → (3-methoxyphenoxy)acetonitrile (50635-23-9)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 75 ℃; for 11h;

Reference yield:

2-(3-methoxyphenoxy)acetamide (198905-40-7) → (3-methoxyphenoxy)acetonitrile (50635-23-9)

Guidance literature:

With phosphorus pentoxide; at 110 ℃;

DOI:10.1093/jat/25.2.77

Reference yield:

O-methylresorcine (150-19-6) → (3-methoxyphenoxy)acetonitrile (50635-23-9)

Guidance literature:

Multi-step reaction with 3 steps

1: KOH

2: NH₃

3: P₂O₅ / 110 °C

With potassium hydroxide; ammonia; phosphorus pentoxide;

DOI:10.1093/jat/25.2.77

upstream raw materials:

2-(3-methoxyphenoxy)acetamide

O-methylresorcine

chloroacetonitrile

3-methoxyphenoxyacetic acid

Downstream raw materials:

1-(3-methoxy-phenoxy)-3-phenyl-acetone

1-(2,4-Dihydroxy-phenyl)-2-(3-methoxy-phenoxy)-ethanone

N-[2-(3-methoxyphenoxy)ethyl]acetamide

1-(3-methoxy-phenoxy)-3-phenyl-acetone semicarbazone

Refernces

• 1、 Hirota, Takashi,Fujita, Hiroko,Sasaki, Kenji,Namba, Tetsuto,Hayakawa, Shohei. "A Novel Synthesis of Benzofuran and Related Compounds. I. The Vilsmeier Reaction of Phenoxyacetonitriles". . p. 1347 - 1351. Retrieved 2007/10/02.