3,5-DIMETHYLACETOPHENONE Chemical Properties

Melting point:

20°C

Boiling point:

98-100°C 8mm

Density 

0,988 g/cm³

refractive index 

1.5290

Flash point:

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

λmax

251nm(MeOH)(lit.)

BRN 

2240987

InChI

InChI=1S/C10H12O/c1-7-4-8(2)6-10(5-7)9(3)11/h4-6H,1-3H3

InChIKey

BKIHFZLJJUNKMZ-UHFFFAOYSA-N

SMILES

C(=O)(C1=CC(C)=CC(C)=C1)C

Safety Information

Safety Statements 

24/25

HS Code 

2914390090

MSDS

• Language:English Provider:ALFA

3,5-DIMETHYLACETOPHENONE Usage And Synthesis

Uses

3,5-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

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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