ChemicalBook--->CAS DataBase List--->770718-92-8

770718-92-8

770718-92-8 Structure

770718-92-8 Structure
IdentificationBack Directory
[Name]

3-BROMO-5-HYDROXYBENZONITRILE
[CAS]

770718-92-8
[Synonyms]

3-BROMO-5-HYDROXYBENZONITRILE
Benzonitrile, 3-bromo-5-hydroxy-
[Molecular Formula]

C7H4BrNO
[MDL Number]

MFCD16659096
[MOL File]

770718-92-8.mol
[Molecular Weight]

198.02
Chemical PropertiesBack Directory
[Boiling point ]

284.4±25.0 °C(Predicted)
[density ]

1.79±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

7.62±0.10(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[RIDADR ]

3439
[HazardClass ]

6.1
[PackingGroup ]

[HS Code ]

2926907090
Spectrum DetailBack Directory
[Spectrum Detail]

3-BROMO-5-HYDROXYBENZONITRILE(770718-92-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-BROMO-5-METHOXY BENZONITRILE

867366-91-4

3-BROMO-5-HYDROXYBENZONITRILE

770718-92-8

General procedure for the synthesis of 3-hydroxy-5-bromobenzonitrile from 3-bromo-5-methoxybenzonitrile: Anhydrous colistin (100 mL) was added to a dry flask, followed by 3-bromo-5-methoxybenzonitrile (10.4 g, 49 mmol) and lithium iodide (LiI, 19.6 g, 3 equiv). The reaction mixture was heated to 150 °C and kept overnight under nitrogen protection. After completion of the reaction, the mixture was cooled to room temperature and slowly poured into ice-cold 1 M hydrochloric acid (HCl) solution. The aqueous phase was extracted using a 1:1 mixture of ethyl acetate (EtOAc)/hexane and the organic phase was washed with water and dried with anhydrous magnesium sulfate (MgSO4). Finally, the target product 3-hydroxy-5-bromobenzonitrile (8.7 g, 89% yield) was obtained by vacuum concentration.

[References]

[1] Patent: US2005/239881, 2005, A1. Location in patent: Page/Page column 47-48
[2] Patent: US2008/20981, 2008, A1. Location in patent: Page/Page column 19
[3] Patent: US2008/45511, 2008, A1. Location in patent: Page/Page column 21
[4] Patent: US2008/293664, 2008, A1. Location in patent: Page/Page column 16
[5] Patent: US2008/249151, 2008, A1. Location in patent: Page/Page column 21
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