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18442-22-3

18442-22-3 Structure

18442-22-3 Structure
IdentificationBack Directory
[Name]

7-Bromo-4-chromanone
[CAS]

18442-22-3
[Synonyms]

7-Bromo Chromonone
7-Bromo-4-chromanone
7-BroMo-4-chroManone 97%
7-Bromochroman-4-one C9H7BrO2
7-bromo-2,3-dihydrochromen-4-one
7-bromo-2,3-dihydrobenzopyran-4-one
7-BROMOCHROMAN-4-ONE, CAS: 18442-22-3
7-Bromo-2,3-dihydro-4H-1-benzopyran-4-one
7-broMo-3,4-dihydro-2H-1-benzopyran-4-one
4H-1-Benzopyran-4-one, 7-bromo-2,3-dihydro-
[EINECS(EC#)]

1308068-626-2
[Molecular Formula]

C9H7BrO2
[MDL Number]

MFCD09744055
[MOL File]

18442-22-3.mol
[Molecular Weight]

227.05
Chemical PropertiesBack Directory
[Boiling point ]

336.6±42.0 °C(Predicted)
[density ]

1.621±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H302-H335-H315
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
[HS Code ]

2932990090
Hazard InformationBack Directory
[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
Spectrum DetailBack Directory
[Spectrum Detail]

7-bromochroman-4-one(18442-22-3)1HNMR
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