(2-Methoxyphenoxy)acetonitrile

Base Information

• Chemical Name: (2-Methoxyphenoxy)acetonitrile
• CAS No.: 6781-29-9
• Molecular Formula: C9H9NO2
• Molecular Weight: 163.176
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID10371571
• Wikidata: Q82158938
• Mol file: 6781-29-9.mol

Synonyms:2-(2-methoxyphenoxy)acetonitrile;(2-Methoxyphenoxy)acetonitrile;6781-29-9;2-(2-methoxy-phenoxy)acetonitrile;2-Cyanomethoxyanisole;o-methoxyphenoxyacetonitrile;2-Methoxyphenoxyacetonitrile;SCHEMBL1553402;DTXSID10371571;RUUDKUXGUIMMAB-UHFFFAOYSA-N;2-(2-Methoxyphenoxy)-acetonitrile;2-(2-Methoxy-phenoxy)-acetonitrile;MFCD01765421;AKOS000189148;TS-02170;(S)-tert-butyl?6-oxopiperidin-3-ylcarbamate;CS-0317334;FT-0728223;J-505657;F3139-2783

Chemical Property of (2-Methoxyphenoxy)acetonitrile

Chemical Property:

• Boiling Point: 269.3 °C at 760 mmHg
• Flash Point: 109.1 °C
• PSA: 42.25000
• Density: 1.107 g/cm³
• LogP: 1.59758
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• 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:

99.90% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-42/43
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1OCC#N

Technology Process of (2-Methoxyphenoxy)acetonitrile

There total 5 articles about (2-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: 80.0%

2-methoxy-phenol (90-05-1) + cyanomethyl bromide (590-17-0) → 2-(2-methoxy-phenoxy)acetonitrile (6781-29-9)

Guidance literature:

With potassium carbonate; In chloroform; water; acetone;

Reference yield: 72.0%

(2-methoxyphenoxy)acetic acid (1878-85-9) + 4-(methylsulfonyl)benzonitrile (22821-76-7) → 2-(2-methoxy-phenoxy)acetonitrile (6781-29-9)

Guidance literature:

With riboflavin-2',3',4',5'-tetra-acetate; In acetonitrile; at 25 ℃; for 12h; Inert atmosphere; Irradiation; Sealed tube;

DOI:10.1021/acs.orglett.9b00064

Reference yield:

2-(2-methoxy-phenoxy)-ethylamine (1836-62-0) → 2-(2-methoxy-phenoxy)acetonitrile (6781-29-9)

Guidance literature:

With ammonium hydroxide; oxygen; at 110 ℃; for 15h; under 2250.23 Torr; Autoclave; Green chemistry;

DOI:10.1002/cssc.201402613

upstream raw materials:

chloroacetonitrile

2-methoxy-phenol

cyanomethyl bromide

2-(2-methoxy-phenoxy)-ethylamine

Downstream raw materials:

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

Isonicotinic acid [1-amino-2-(2-methoxy-phenoxy)-eth-(E)-ylidene]-hydrazide

methyl 3-(1-imino-2-{2-methoxyphenoxyl}-ethylamino)-4-methoxybenzoate

Acetic acid 3-(2-methoxy-phenoxy)-4-oxo-4H-chromen-7-yl ester

Refernces

• 1、 Jagadeesh, Rajenahally V.,Junge, Henrik,Beller, Matthias. ""Nanorust"-catalyzed benign oxidation of amines for selective synthesis of nitriles". . p. 92 - 96. Retrieved 2015/02/19.