2-Methyl-2-(4-(phenylthioMethyl)phenyl)propanenitrile

Base Information

• Chemical Name: 2-Methyl-2-(4-(phenylthioMethyl)phenyl)propanenitrile
• CAS No.: 1185311-16-3
• Molecular Formula: C17H17NS
• Molecular Weight: 267.395
• Hs Code.: 2930909090
• Mol file: 1185311-16-3.mol

Synonyms:2-Methyl-2-(4-(phenylthioMethyl)phenyl)propanenitrile;Benzeneacetonitrile, α,α-diMethyl-4-[(phenylthio)Methyl]-

Chemical Property of 2-Methyl-2-(4-(phenylthioMethyl)phenyl)propanenitrile

Chemical Property:

• PSA: 49.09000
• LogP: 4.78008
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

α,α-Dimethyl-4-[(phenylthio)methyl]benzeneacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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Technology Process of 2-Methyl-2-(4-(phenylthioMethyl)phenyl)propanenitrile

There total 1 articles about 2-Methyl-2-(4-(phenylthioMethyl)phenyl)propanenitrile 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-(4-(bromomethyl)phenyl)-2-methylpropanenitrile (1201643-73-3) + thiophenol (108-98-5) → 2-methyl-2-(4-(phenylthiomethyl)phenyl)propanenitrile (1185311-16-3)

Guidance literature:

With sodium carbonate; In methanol; at 20 ℃; for 3h;

Reference yield: 35.0%

6-bromo-4-chloro-3-nitroquinoline (723281-72-9) + 2-methyl-2-(4-(phenylthiomethyl)phenyl)propanenitrile (1185311-16-3) → 2-(4-((6-bromo-3-nitroquinolin-4-yl)(phenylthio)methyl)phenyl)-2-methylpropanenitrile (1201643-76-6)

Guidance literature:

6-bromo-4-chloro-3-nitroquinoline; With potassium hexamethylsilazane; In tetrahydrofuran; at -78 ℃; for 0.5h;

2-methyl-2-(4-(phenylthiomethyl)phenyl)propanenitrile; In tetrahydrofuran; at -78 - 20 ℃;

Reference yield:

2-methyl-2-(4-(phenylthiomethyl)phenyl)propanenitrile (1185311-16-3) → 2-(4-(8-(3-aminophenyl)-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile (1201645-48-8)

Guidance literature:

Multi-step reaction with 5 steps

1.1: potassium hexamethylsilazane / tetrahydrofuran / 0.5 h / -78 °C

1.2: -78 - 20 °C

2.1: hydrogen / Reney-Ni / tetrahydrofuran

3.1: potassium acetate / toluene

4.1: sodium carbonate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide / 0.5 h / 105 - 120 °C / Inert atmosphere; Microwavev irradiation

5.1: hydrogenchloride; titanium(III) chloride; acetic acid / water / 0.25 h / 20 °C

5.2: pH 9

With hydrogenchloride; titanium(III) chloride; hydrogen; potassium acetate; potassium hexamethylsilazane; sodium carbonate; acetic acid; tetrakis(triphenylphosphine) palladium⁽⁰⁾; Reney-Ni; In tetrahydrofuran; water; N,N-dimethyl-formamide; toluene; 4.1: Suzuki Coupling;

upstream raw materials:

2-(4-(bromomethyl)phenyl)-2-methylpropanenitrile

thiophenol

Downstream raw materials:

2-(4-((6-bromo-3-nitroquinolin-4-yl)(phenylthio)methyl)phenyl)-2-methylpropanenitrile

2-(4-(8-bromoisothiazolo[3,4-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile

2-(4-((3-amino-6-bromoquinolin-4-yl)methyl)phenyl)-2-methylpropanenitrile

2-(4-(8-bromo-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile

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