4-Chloro-4'-fluorobutyrophenone

4-Chloro-4'-fluorobutyrophenone Basic information

Product Name:	4-Chloro-4'-fluorobutyrophenone
Synonyms:	3-CHLOROPROPYL4-FLUOROPHENYLKETONE/4-CHLORO-4''-FLUOROBUTYROPHENONE;1-Butanone, 4-chloro-1-(4-fluorophenyl)-;1-(4-Fluorophenyl)-4-chloro-1-butanone;γ-Chloro-4'-fluorobutyrophenone;ω-Chloro-4'-fluorobutyrophenone;Chloro-4'-fluorobutyrophe;4-Chloro-4'-fluorobu;4-chloro-4-fluorophenyl ketone
CAS:	3874-54-2
MF:	C10H10ClFO
MW:	200.64
EINECS:	223-395-3
Product Categories:	API Intermediate;Aromatics;ketone;Fluorobenzene;C10;Miscellaneous Reagents;Carbonyl Compounds;Ketones;3874-54-2
Mol File:	3874-54-2.mol

4-Chloro-4'-fluorobutyrophenone Chemical Properties

Melting point	5-6 °C
Boiling point	130-132 °C (0.97513 mmHg)
density	1.22 g/mL at 25 °C(lit.)
refractive index	n20/D 1.5255(lit.)
Fp	>230 °F
storage temp.	Inert atmosphere,Room Temperature
solubility	Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
form	Oil
color	Slightly yellow-greenish clear
PH	4.05 at 23.1℃ and 10g/L
Water Solubility	0.38 g/L (20 ºC)
BRN	608741
InChIKey	HXAOUYGZEOZTJO-UHFFFAOYSA-N
LogP	2.84 at 30℃
CAS DataBase Reference	3874-54-2(CAS DataBase Reference)
NIST Chemistry Reference	1-Butanone, 4-chloro-1-(4-fluorophenyl)-(3874-54-2)
EPA Substance Registry System	1-Butanone, 4-chloro-1-(4-fluorophenyl)- (3874-54-2)

Safety Information

MSDS Information

Provider	Language
4-Chloro-1-(4-fluorophenyl)-1-butanone	English
SigmaAldrich	English
ACROS	English
ALFA	English

4-Chloro-4'-fluorobutyrophenone Usage And Synthesis

Chemical Properties	slightly yellow-greenish clear oil
Uses	4-Chloro-4''-fluorobutyrophenone (cas# 3874-54-2) is a compound useful in organic synthesis.
Synthesis	The purified alkyne (5 mmol) was treated with a solution of HNTf2 (60-200 mol %) in 1,4-dioxane in apreheated oil bath at 100°C, under magnetic stirring, for 18-52 h, and the corresponding ketone was purified by column chromatography after cooling 4-Chloro-4'-fluorobutyrophenone. The reaction crude was purified by column chromatography using 20% AcOEt in n-hexane as an eluent. Isolated yield: 850 mg (85%). R f (20% AcOEt in n-hexane): 0.66. GC-MS (m/ z, M+? 200), major peaks found: 200 (1%), 164 (1%), 138 (43%), 123 (100%), 107 (10%). 1H NMR (δ, ppm; J, Hz): 8.03-7.97 (2C-H arom, mult), 7.17-7.09 (2C-H arom, mult), 3.68 (CH2, t, J = 6.2), 3.15 (CH2, t, J = 7.0), 2.22 (CH2, tt, J = 7.0, 6.2). 13C NMR (δ, ppm; J, Hz): 197.3 (C=O), 166.1 (C, d, J 1 C-F = 254.7), 133.2 (C, d, J 4 C-F = 4.3), 130.6 (2CH, d, J 3 C-F = 9.3), 115.9 (2CH, d, J 2 C-F = 22.2), 44.6 (CH2), 35.2 (CH2), 26.7 (CH2).

4-Chloro-4'-fluorobutyrophenone Preparation Products And Raw materials

Preparation Products

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