1-(2,4-Dichlorophenyl)-1-propanone
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1-(2,4-Dichlorophenyl)-1-propanone
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CAS No:
37885-41-9
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Formula:
C9H8Cl2O
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Chemical Name:
1-(2,4-Dichlorophenyl)-1-propanone
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Synonyms:
1-Propanone,1-(2,4-dichlorophenyl)-;1-(2,4-Dichlorophenyl)-1-propanone;2,4-Dichloropropiophenone
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CAS No:
1-(2,4-Dichlorophenyl)-1-propanone Basic Attributes
203.07
203.07
2248270
253-700-5
PQX59H9QPV
DTXSID00191321
2914700090
Characteristics
17.1
3.3
Clear slightly yellow liquid
1,287 g/cm3
121-123°C7mm
>110°C
1.551-1.553
Slightly soluble in water
Safety Information
36/37/38
37/39-26
Xi
P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P501
H302
|Warning|H302 (96.21%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 132 companies from 3 notifications to the ECHA C&L Inventory.
1-(2,4-Dichlorophenyl)-1-propanone Use and Manufacturing
General procedure: To a cold at 10 C suspension of Zetan (1.2 g, 18 mmol) in TauF (18 mL), TiCl4 (0.82 mL, 7.5 mmol) was addeddropwise and the new mixture was stirred for another 10 min inthe same temperature and after was refluxed for 2 h. Then, a solutionof keto-amide 4b (0.50 g, 1.9 mmol) and propiophenone (5a, 0.28 g, 2.1 mmol) in TauF (37 mL), was added to the cooled suspensionof the titanium reagent at 0 C, and the reaction mixturewas refluxed for 2.5 h. After the completion of the reaction, thereaction mixture was cooled to r.t. and poured into a 10% aq K2CO3solution (15 mL). Vigorous stirring was maintained for 5 min, andthe dispersed insoluble material was removed by vacuum filtrationusing celite. The organic layer was separated and the aqueous layerwas extracted 3 times with EtOAc. The combined EtOAc extractswere washed with water and brine, dried with Na2SO4, filtered andevaporated. The residue was purified by flash column chromatography(Hex/EtOAc 8:2) to provide a mixture of the 2 diastereomers6a and 7a (86% total yield). The 2 diastereomers were separated bycrystallization from MeOH to provide compound 6a as crystals andcompound 9a as white amorphous solid in a ratio 6a/7a 3
Computed Properties
Molecular Weight:203.06
XLogP3:3.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:201.9952203
Monoisotopic Mass:201.9952203
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-(2,4-Dichlorophenyl)-1-propanone
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