2-(4-Methoxyphenyl)-2-methylpropanenitrile

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)-2-methylpropanenitrile
• CAS No.: 5351-07-5
• Molecular Formula: C11H13NO
• Molecular Weight: 175.23
• Hs Code.: 2926909090
• Mol file: 5351-07-5.mol

Synonyms:Hydratroponitrile,p-methoxy-a-methyl- (6CI,8CI);2-(4-Methoxyphenyl)-2-methylpropanenitrile;2-(4-Methoxyphenyl)-2-methylpropionitrile;4-Methoxy-a,a-dimethylbenzyl cyanide;NSC 98;p-Methoxy-a,a-dimethylbenzeneacetonitrile;

Chemical Property of 2-(4-Methoxyphenyl)-2-methylpropanenitrile

Chemical Property:

• Vapor Pressure: 0.00289mmHg at 25°C
• Refractive Index: 1.502
• Boiling Point: 284.9 °C at 760 mmHg
• Flash Point: 119.8 °C
• PSA: 33.02000
• Density: 1.009 g/cm³
• LogP: 2.49638
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Methoxyphenyl)-2-methylpropanenitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(4-Methoxyphenyl)-2-methylpropanenitrile

There total 19 articles about 2-(4-Methoxyphenyl)-2-methylpropanenitrile 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: 100.0%

p-methoxybenzylnitrile (104-47-2) + methyl iodide (74-88-4) → 2-(4-methoxy-phenyl)-2-methyl-propionitrile (5351-07-5)

Guidance literature:

p-methoxybenzylnitrile; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 1.5h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.1c02460

Reference yield: 100.0%

trimethylsilyl cyanide (7677-24-9) + 5-[1-(4-methoxyphenyl)-1-methylethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione (1098072-77-5) → 2-(4-methoxy-phenyl)-2-methyl-propionitrile (5351-07-5)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 20 ℃; for 0.333333h;

DOI:10.1021/ol301442z

Reference yield: 98.0%

1-isopropenyl-4-methoxybenzene (1712-69-2) + 2-hydroxy-2-methylpropanenitrile (75-86-5) → 2-(4-methoxy-phenyl)-2-methyl-propionitrile (5351-07-5)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; C₇₆H₆₀O₁₀P₂; In toluene; at 120 ℃; for 12h; Inert atmosphere; Glovebox;

DOI:10.1021/acs.orglett.9b04554

upstream raw materials:

p-methoxybenzylnitrile

methyl iodide

2-(4-Hydroxyphenyl)-2-methylpropionitrile

dimethyl sulfate

Downstream raw materials:

(2S)-{2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6,2'-dihydroxy-5'-sulfamoylbiphenyl-3-yl]-2-methylpropionylamino}succinamide

methyl 2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-5'-cyano-6,2'-dimethoxybiphenyl-3-yl]-2-methylpropanoate

2-[5-(5-carbamimidoyl-1H-benzimidazol-2-yl)-6,2'-dihydroxy-5'-sulfamoylbiphenyl-3-yl]-2-methylpropionic acid

methyl 2-(3-bromo-5-formyl-4-methoxyphenyl)-2-methyl-propionate

Refernces

• 1、 Hajipour, Abdol R.,Khorsandi, Zahra. "Cobalt-catalyzed C[sbnd]H activation/C[sbnd]O formation: Synthesis of benzofuranones". . . Retrieved 2019/11/26.
• 2、 Xing, Yidan,Yu, Rongrong,Fang, Xianjie. "Synthesis of Tertiary Benzylic Nitriles via Nickel-Catalyzed Markovnikov Hydrocyanation of α-Substituted Styrenes". supporting information. p. 1008 - 1012. Retrieved 2020/02/04.