7-bromochroman-4-one Chemical Properties

Boiling point:

336.6±42.0 °C(Predicted)

Density 

1.621±0.06 g/cm3(Predicted)

storage temp. 

2-8°C

Appearance

White to yellow Solid

InChI

InChI=1S/C9H7BrO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5H,3-4H2

InChIKey

DMEAYYYHWLCPCD-UHFFFAOYSA-N

SMILES

C1OC2=CC(Br)=CC=C2C(=O)C1

Safety Information

HS Code 

2932990090

7-bromochroman-4-one Usage And Synthesis

Uses

Used as a intermediate for  R & D.

Synthesis

7-Bromochroman-4-one was synthesized by hydrogenation addition of 7-Bromo-benzopyrone catalyzed by Wilkinson's catalyst Rhodium( Ⅰ) tris( triphenylphosphine) chloride[Rh( PPh3)3Cl]. The structure was confirmed by1 H NMR and MS. The optimum reaction conditions for synthesizing 7-Bromochroman-4-one were as follows: 5 0. 329 mol,ethanol as the solvent,c( 5) =0. 4 mol·L- 1,4% mol Rh( PPh3)3Cl as the catalyst,under 0. 3 MPa of hydrogen pressure,at 70℃ for 20 h,the yield was 79. 8%.

References

[1] Patent: WO2012/68234, 2012, A2. Location in patent: Page/Page column 629; 630
[2] Patent: WO2007/88450, 2007, A2. Location in patent: Page/Page column 22
[3] Journal of Medicinal Chemistry, 2016, vol. 59, # 22, p. 10228 - 10243
[4] Patent: US2014/200215, 2014, A1. Location in patent: Paragraph 1148; 1150
[5] Patent: US2009/202478, 2009, A1

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