alpha-Methyl-4-(3-thienyl)benzeneacetonitrile

Base Information

Chemical Name:alpha-Methyl-4-(3-thienyl)benzeneacetonitrile
CAS No.:108912-12-5
Molecular Formula:C₁₃H₁₁NS
Molecular Weight:213.303
Hs Code.:
DSSTox Substance ID:DTXSID201272880

Synonyms:alpha-Methyl-4-(3-thienyl)benzeneacetonitrile;DTXSID201272880;108912-12-5

Suppliers and Price of alpha-Methyl-4-(3-thienyl)benzeneacetonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of alpha-Methyl-4-(3-thienyl)benzeneacetonitrile

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:213.06122053
Heavy Atom Count:15
Complexity:247

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C#N)C1=CC=C(C=C1)C2=CSC=C2

Technology Process of alpha-Methyl-4-(3-thienyl)benzeneacetonitrile

There total 3 articles about alpha-Methyl-4-(3-thienyl)benzeneacetonitrile 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:

: 100-41-4,27536-89-6
ethylbenzene

: 108912-12-5
4-(3-thienyl)phenyl-α-methylacetonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: 62 percent / AlCl₃ / CH₂Cl₂ / 1.5 h / 0 - 20 °C

2: 96 percent / H₂ / 10 percent Pd/C / 72 h / 20 °C

3: 99 percent / NBS; benzoylperoxide / CCl₄ / 2 h / Heating

4: 60 percent / dimethylformamide / 12 h / 20 °C

With N-Bromosuccinimide; aluminium trichloride; hydrogen; dibenzoyl peroxide; palladium on activated charcoal; In tetrachloromethane; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2003.11.066

Reference yield:

: 120413-98-1
4-[(4-ethyl)phenyl]-2-chlorothiophene

: 108912-12-5
4-(3-thienyl)phenyl-α-methylacetonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: 96 percent / H₂ / 10 percent Pd/C / 72 h / 20 °C

2: 99 percent / NBS; benzoylperoxide / CCl₄ / 2 h / Heating

3: 60 percent / dimethylformamide / 12 h / 20 °C

With N-Bromosuccinimide; hydrogen; dibenzoyl peroxide; palladium on activated charcoal; In tetrachloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2003.11.066

Reference yield:

: 119492-72-7
3-[(4-ethyl)phenyl]thiophene

: 108912-12-5
4-(3-thienyl)phenyl-α-methylacetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / NBS; benzoylperoxide / CCl₄ / 2 h / Heating

2: 60 percent / dimethylformamide / 12 h / 20 °C

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2003.11.066