4'-Methylvalerophenone

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CAS:1671-77-8
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  • CAS:1671-77-8
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  • 2025-03-21
  • CAS:1671-77-8
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4'-Methylvalerophenone Basic information
Product Name:4'-Methylvalerophenone
Synonyms:1-(4-Methylphenyl)-1-pentanone;4-Methyl-1-pentanoylbenzene;4'-Methylvalerophenone;1-(4-methylphenyl)pentan-1-one;1-(4-Methylphenyl)pentane-1-one;4'-Methylvaleropheno;4-Methyl benzene pentanone;p-Methylvalerophenone, 4-Methylvalerophenone, 1-(4-methylphenyl)pentan-1-one
CAS:1671-77-8
MF:C12H16O
MW:176.25
EINECS:216-804-1
Product Categories:
Mol File:1671-77-8.mol
4'-Methylvalerophenone Structure
4'-Methylvalerophenone Chemical Properties
Melting point 17 °C
Boiling point 261 °C
density 0.943±0.06 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
solubility Chloroform; Dichloromethane; Methanol
form Oil
color Colorless
InChIInChI=1S/C12H16O/c1-3-4-5-12(13)11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3
InChIKeyBCVCZJADTSTKNH-UHFFFAOYSA-N
SMILESC(C1=CC=C(C)C=C1)(=O)CCCC
CAS DataBase Reference1671-77-8(CAS DataBase Reference)
NIST Chemistry Reference1-Pentanone, 1-(4-methylphenyl)-(1671-77-8)
Safety Information
HS Code 2914390090
MSDS Information
4'-Methylvalerophenone Usage And Synthesis
Uses4’-Methylvalerophenone is a Valerophenone derivative. Valerophenone (V091450) is an aromatic ketone that is often used as a tool in the study of various photochemical processes. Valerophenone is also an inhibitor of the enzyme carbonyl reductase.
Synthesis
Benzenemethanol, α-butyl-4-methyl-

91763-35-8

4'-Methylvalerophenone

1671-77-8

The general procedure for the synthesis of 4-methylpentanone from the compound (CAS: 91763-35-8) is as follows: the oxidation reaction of 1-phenyl-1-pentanol (1a) was performed as a representative operation (see Table 2, entry 1): in a reaction flask fitted with a reflux condenser and a drying tube lined with calcium chloride, BMI-PF6 (85 mg, 0.30 mmol), 1- phenyl-1-pentanol (1a, 33 mg, 0.20 mmol), Cs2CO3 (33 mg, 0.10 mmol) and trifluoromethylbenzene (0.10 mL). The reaction mixture was stirred at 105 °C for 20 hours. After completion of the reaction, the reaction mixture was diluted with ethyl acetate and poured into water. The aqueous phase was extracted three times with ethyl acetate. The organic layers were combined, dried with anhydrous Na2SO4, filtered through a neutral alumina pad and concentrated under reduced pressure. Finally, purification by silica gel column chromatography using hexane/ethyl acetate (10:1, v/v) as eluent gave 1-phenyl-1-pentanone (2a, 28 mg, 0.17 mmol) in 86% yield.

References[1] Angewandte Chemie - International Edition, 2003, vol. 42, # 41, p. 5063 - 5066
[2] Tetrahedron Letters, 2011, vol. 52, # 41, p. 5392 - 5394
4'-Methylvalerophenone Preparation Products And Raw materials
Raw materialsBenzenemethanol, α-butyl-4-methyl--->n-Butyllithium-->p-Toluoyl chloride-->Ethyl 4-methylbenzoate-->Cesium carbonate-->Benzotrifluoride-->Oxygen-->IONIC LIQUID
Tag:4'-Methylvalerophenone(1671-77-8) Related Product Information
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