4-Methoxy-2-methylphenylacetonitrile

Base Information

• Chemical Name: 4-Methoxy-2-methylphenylacetonitrile
• CAS No.: 262298-02-2
• Molecular Formula: C10H11NO
• Molecular Weight: 161.203
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID60396613
• Wikidata: Q72490575
• Mol file: 262298-02-2.mol

Synonyms:4-Methoxy-2-methylphenylacetonitrile;262298-02-2;2-(4-methoxy-2-methylphenyl)acetonitrile;Benzeneacetonitrile, 4-methoxy-2-methyl-;2-METHYL-4-METHOXYPHENYLACETONITRILE;MFCD02178388;SCHEMBL1237862;4-Methoxy-2-methylbenzyl cyanide;DTXSID60396613;IXOPCMZOHYZDMX-UHFFFAOYSA-N;CL8765;4-methoxy-2-methylphenyl acetonitrile;AKOS006280230;AM82823;SY106580;TS-02149;A5213;CS-0153199;FT-0650603;EN300-1830780;J-515632

Chemical Property of 4-Methoxy-2-methylphenylacetonitrile

Chemical Property:

• Vapor Pressure: 0.00195mmHg at 25°C
• Refractive Index: 1.517
• Boiling Point: 291.402 °C at 760 mmH
• Flash Point: 122.633 °C
• PSA: 33.02000
• Density: 1.034 g/cm³
• LogP: 2.06968
• Storage Temp.: Sealed in dry,Room Temperature
• 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% ^*data from raw suppliers

4-Methoxy-2-methylphenylacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methoxy-2-methylphenylacetonitrile

There total 9 articles about 4-Methoxy-2-methylphenylacetonitrile 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: 72.0%

2-(4-methoxy-2-methylphenyl)acetaldehyde oxime → 2-(4-methoxy-2-methylphenyl)acetonitrile (262298-02-2)

Guidance literature:

With N,N-dimethyl-aniline; trichlorophosphate; at 50 - 90 ℃; for 1h;

Reference yield: 23.0%

4-methoxy-2-methylbenzyl chloride (84658-09-3) + potassium cyanide (151-50-8) → 2-(4-methoxy-2-methylphenyl)acetonitrile (262298-02-2)

Guidance literature:

In ethanol; for 3.5h; Heating;

DOI:10.1021/jm010254a

Reference yield:

3,4-dimethylanisole (4685-47-6) + sodium cyanide (143-33-9,25596-52-5) → 2-(4-methoxy-2-methylphenyl)acetonitrile (262298-02-2)

Guidance literature:

3,4-dimethylanisole; With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 6.5h; Heating / reflux;

sodium cyanide; In N,N-dimethyl-formamide; at 20 ℃;

upstream raw materials:

sodium cyanide

1-(bromomethyl)-4-methoxy-2-methylbenzene

4-methoxy-2-methylbenzyl chloride

potassium cyanide

Downstream raw materials:

2-(4-methoxy-2-methylphenyl)-3-oxobutyronitrile potassium salt

2-(4-methoxy-2-methylphenyl)-3-oxo-propionitrile

8-chloro-3-(4-methoxy-2-methylphenyl)-2-methylsulfanylmethyl-6,7-dihydro-5H-1,4,8a-triaza-s-indacene

8-chloro-3-(4-methoxy-2-methylphenyl)-2-trifluoromethyl-6,7-dihydro-5H-1,4,8a-triaza-s-indacene

Refernces

• 1、 Gilligan, Paul J.,He, Liqi,Clarke, Todd,Tivitmahaisoon, Parcharee,Lelas, Snjezana,Li, Yu-Wen,Heman, Karen,Fitzgerald, Lawrence,Miller, Keith,Zhang, Ge,Marshall, Anne,Krause, Carol,McElroy, John,Ward, Kathyrn,Shen, Helen,Wong, Harvey,Grossman, Scott,Nemeth, Gregory,Zaczek, Robert,Arneric, Stephen P.,Hartig, Paul,Robertson, David W.,Trainor, George. "8-(4-Methoxyphenyl)pyrazolo[1,5-a]-1,3,5-triazines: Selective and centrally active corticotropin-releasing factor receptor-1 (CRF1) antagonists". scheme or table. p. 3073 - 3083. Retrieved 2010/01/16.
• 2、 Meyers,Sun,Carlson,Marriner,Katzenellenbogen,Katzenellenbogen. "Estrogen receptor-β potency-selective ligands: Structure-activity relationship studies of diarylpropionitriles and their acetylene and polar analogues". . p. 4230 - 4251. Retrieved 2007/10/03.