4-Fluoro-2-[[4-(1-methylethyl)phenyl]thio]benzeneacetonitrile

Base Information

Chemical Name:4-Fluoro-2-[[4-(1-methylethyl)phenyl]thio]benzeneacetonitrile
CAS No.:106754-81-8
Molecular Formula:C₁₇H₁₆FNS
Molecular Weight:285.385
Hs Code.:
DSSTox Substance ID:DTXSID701183466

Synonyms:DTXSID701183466;4-Fluoro-2-[[4-(1-methylethyl)phenyl]thio]benzeneacetonitrile;106754-81-8

Suppliers and Price of 4-Fluoro-2-[[4-(1-methylethyl)phenyl]thio]benzeneacetonitrile

Supply Marketing:

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

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Chemical Property of 4-Fluoro-2-[[4-(1-methylethyl)phenyl]thio]benzeneacetonitrile

Chemical Property:

XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:285.09874885
Heavy Atom Count:20
Complexity:340

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)C1=CC=C(C=C1)SC2=C(C=CC(=C2)F)CC#N

Technology Process of 4-Fluoro-2-[[4-(1-methylethyl)phenyl]thio]benzeneacetonitrile

There total 5 articles about 4-Fluoro-2-[[4-(1-methylethyl)phenyl]thio]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: 82.0%

: 544-92-3
copper(I) cyanide

: 88848-16-2
4-fluoro-2-(4-isopropylphenylthio)benzyl chloride

: 106754-81-8
4-fluoro-2-(4-isopropylphenylthio)phenylacetonitrile

Guidance literature:: for 7h; heating on the water bath to 85-90 deg C;

Reference yield:

: 4946-14-9
4-mercapto-cumene

: 106754-81-8
4-fluoro-2-(4-isopropylphenylthio)phenylacetonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: KOH (85 percent), Cu / H₂O / 8 h / Heating

2: 88 percent / dihydridobis(2-methoxyethoxy)aluminate / toluene / 3 h / Ambient temperature; standing overnight

3: SOCl₂ / benzene / 0.5 h / Heating

4: 82 percent / 7 h / heating on the water bath to 85-90 deg C

With potassium hydroxide; thionyl chloride; copper; RedAl; In water; toluene; benzene;

Reference yield:

: 56096-89-0
4-fluoro-2-iodobenzoic acid

: 106754-81-8
4-fluoro-2-(4-isopropylphenylthio)phenylacetonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: KOH (85 percent), Cu / H₂O / 8 h / Heating

2: 88 percent / dihydridobis(2-methoxyethoxy)aluminate / toluene / 3 h / Ambient temperature; standing overnight

3: SOCl₂ / benzene / 0.5 h / Heating

4: 82 percent / 7 h / heating on the water bath to 85-90 deg C

With potassium hydroxide; thionyl chloride; copper; RedAl; In water; toluene; benzene;