3,5-Dimethylacetophenone

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3,5-Dimethylacetophenone manufacturers

3,5-Dimethylacetophenone Basic information
Uses
Product Name:3,5-Dimethylacetophenone
Synonyms:3,5-DiMethylacetoph;3',5'-DiMethylacetophenone, 98%+;1-(3,5-Dimethylphenyl)ethanone;2-[[1-(2-methylphenyl)-5-tetrazolyl]thio]-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]acetamide;3',5'-Dimethylacetophenone>;Ethanone, 1-(3,5-dimethylphenyl)-;3,5-Dimethylacetophenon;3',5'-Dimethylacetophenone
CAS:5379-16-8
MF:C10H12O
MW:148.2
EINECS:676-296-6
Product Categories:Pyridines, Pyrimidines, Purines and Pteredines
Mol File:5379-16-8.mol
3,5-Dimethylacetophenone Structure
3,5-Dimethylacetophenone Chemical Properties
Melting point 20°C
Boiling point 98-100°C 8mm
density 0,988 g/cm3
refractive index 1.5290
Fp 98-100°C/8mm
storage temp. Sealed in dry,Room Temperature
form powder to lump to clear liquid
color White or Colorless to Almost white or Almost colorless
λmax251nm(MeOH)(lit.)
BRN 2240987
InChIInChI=1S/C10H12O/c1-7-4-8(2)6-10(5-7)9(3)11/h4-6H,1-3H3
InChIKeyBKIHFZLJJUNKMZ-UHFFFAOYSA-N
SMILESC(=O)(C1=CC(C)=CC(C)=C1)C
Safety Information
Safety Statements 24/25
HS Code 2914390090
MSDS Information
ProviderLanguage
ALFA English
3,5-Dimethylacetophenone Usage And Synthesis
Uses3,5-Dimethylacetophenone is used in organic synthesis and can be used in laboratory research and development processes as well as in chemical and pharmaceutical synthesis.
Synthesis
1-Iodo-3,5-dimethylbenzene

22445-41-6

Acetic anhydride

108-24-7

3,5-DIMETHYLACETOPHENONE

5379-16-8

To a stirred solution of 1-iodo-3,5-dimethylbenzene (2.0 g, 8.61 mmol) in 40 mL of anhydrous DMF (degassed with argon) were sequentially added LiCl (1.80 g, 43.00 mmol), Pd(dba)3 (98.6 mg, 0.11 mmol), EtNPr2 (2.95 mL, 17.23 mmol ) and acetic anhydride (2.5 mL). After degassing the reaction flask with argon, the mixture was stirred and reacted at 100 °C for 7 hours. The progress of the reaction was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the mixture was cooled to room temperature and subsequently subjected to standard ether treatment to yield 1.4 g of the target product 3,5-dimethylacetophenone as a liquid, which was used directly in the next step of the reaction without further purification. Nuclear magnetic resonance (NMR) and mass spectrometry (MS) analysis confirmed that the target compound had been successfully synthesized.

References[1] Organic Letters, 2003, vol. 5, # 3, p. 289 - 291
[2] Patent: WO2017/9651, 2017, A1. Location in patent: Page/Page column 57
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