(2-Methoxy-5-methylphenyl)acetonitrile

Base Information

• Chemical Name: (2-Methoxy-5-methylphenyl)acetonitrile
• CAS No.: 7048-42-2
• Molecular Formula: C10H11NO
• Molecular Weight: 161.203
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID00407116
• Wikidata: Q82212350
• Mol file: 7048-42-2.mol

Synonyms:2-(2-methoxy-5-methylphenyl)acetonitrile;7048-42-2;(2-methoxy-5-methylphenyl)acetonitrile;SCHEMBL5479089;DTXSID00407116;AKOS009013071;CS-0233784;EN300-13607;Z94597857

Chemical Property of (2-Methoxy-5-methylphenyl)acetonitrile

Chemical Property:

• Vapor Pressure: 0.00616mmHg at 25°C
• Boiling Point: 272.2°C at 760 mmHg
• Flash Point: 114.1°C
• PSA: 33.02000
• Density: 1.033g/cm³
• LogP: 2.06968
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 182

Purity/Quality:

99%min ^*data from raw suppliers

2-(2-methoxy-5-methylphenyl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)OC)CC#N

Technology Process of (2-Methoxy-5-methylphenyl)acetonitrile

There total 8 articles about (2-Methoxy-5-methylphenyl)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: 93.0%

2-methoxy-5-methylbenzyl chloride (7048-41-1) → (2-methoxy-5-methylphenyl)-acetonitrile (7048-42-2)

Guidance literature:

With sodium cyanide; sodium iodide; In acetone; for 15h; Heating;

DOI:10.1021/jo00231a015

Reference yield: 91.0%

2-methoxy-5-methylbenzyl chloride (7048-41-1) + potassium cyanide (151-50-8) → (2-methoxy-5-methylphenyl)-acetonitrile (7048-42-2)

Guidance literature:

With potassium iodide; In dimethyl sulfoxide; for 20h; Ambient temperature;

DOI:10.1021/jm00012a004

Reference yield: 87.0%

sodium cyanide (773837-37-9) + 2-methoxy-5-methylbenzyl chloride (7048-41-1) → (2-methoxy-5-methylphenyl)-acetonitrile (7048-42-2)

Guidance literature:

With sodium iodide; In water; N,N-dimethyl-formamide; at 20 ℃; for 2h;

upstream raw materials:

2-methoxy-5-methylbenzyl chloride

sodium cyanide

2-bromo-4-methylanisole

acetonitrile

Downstream raw materials:

2-(2-methoxy-5-methylphenyl)ethylamine

1,3-bis(2-methoxy-5-methylphenyl)-2-propanone

ethyl 2-methoxy-5-methylbenzeneacetate

2-methoxy-5-methylbenzeneacetic acid

Refernces

• 1、 -. "3,9-DIAZASPIRO[5.5]UNDECANE COMPOUNDS". Page/Page column 364. . Retrieved 2020/04/09.
• 2、 Langlois, Michel,Bremont, Beatrice,Shen, Shuren,Poncet, Annie,Andrieux, Jean,et al.. "Design and Synthesis of New Naphthalenic Derivatives as Ligands for 2-Iodomelatonin Binding Sites". . p. 2050 - 2060. Retrieved 2007/10/02.