4-Fluoro-gamma-oxo-alpha-phenylbenzenebutanenitrile

Base Information

Chemical Name:4-Fluoro-gamma-oxo-alpha-phenylbenzenebutanenitrile
CAS No.:581-01-1
Molecular Formula:C₁₆H₁₂FNO
Molecular Weight:253.276
Hs Code.:
DSSTox Substance ID:DTXSID901263169
Nikkaji Number:J2.427.368G

Synonyms:SCHEMBL8696883;DTXSID901263169;581-01-1;4-Fluoro-gamma-oxo-alpha-phenylbenzenebutanenitrile

Suppliers and Price of 4-Fluoro-gamma-oxo-alpha-phenylbenzenebutanenitrile

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

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Chemical Property of 4-Fluoro-gamma-oxo-alpha-phenylbenzenebutanenitrile

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:253.090292168
Heavy Atom Count:19
Complexity:345

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 4-Fluoro-gamma-oxo-alpha-phenylbenzenebutanenitrile

There total 2 articles about 4-Fluoro-gamma-oxo-alpha-phenylbenzenebutanenitrile 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: 85.0%

: 100-52-7
benzaldehyde

: 2-(4-Fluorphenyl)-2-hydroxypropannitril

: 581-01-1
4-(4-fluoro-phenyl)-4-oxo-2-phenyl-butyronitrile

Guidance literature:: With nickel dichloride; lithium hydroxide; catacxium A; In 1,4-dioxane; at 20 - 100 ℃; for 18.5h; Molecular sieve;
DOI:10.1039/c9sc00640k

Reference yield:

: 151-50-8
potassium cyanide

: 581-01-1
4-(4-fluoro-phenyl)-4-oxo-2-phenyl-butyronitrile

Guidance literature:

Reference yield:

: 581-01-1
4-(4-fluoro-phenyl)-4-oxo-2-phenyl-butyronitrile

: 116776-61-5
3-Chloro-6-(4-fluoro-phenyl)-4-phenyl-pyridazine

Guidance literature:: Multi-step reaction with 4 steps

1: 10 N hydrochloric acid / 1) r.t., 2 h, 2) reflux, 3 h

2: 75 percent / hydrazine hydrate / butan-1-ol / 6 h / Heating

3: 98 percent / Br₂ / acetic acid / 3 h

4: 97 percent / POCl₃ / 2 h / 90 °C

With hydrogenchloride; bromine; hydrazine hydrate; trichlorophosphate; In acetic acid; butan-1-ol;