ChemicalBook--->CAS DataBase List--->34784-05-9

34784-05-9

34784-05-9 Structure

34784-05-9 Structure
IdentificationMore
[Name]

6-Bromoisoquinoline
[CAS]

34784-05-9
[Synonyms]

6-BROMOISOQUINOLINE
NSC 229320
Isoquinoline, 6-bromo-
[EINECS(EC#)]

662-848-3
[Molecular Formula]

C9H6BrN
[MDL Number]

MFCD04973299
[Molecular Weight]

208.05
[MOL File]

34784-05-9.mol
Chemical PropertiesBack Directory
[Melting point ]

44.0 to 48.0 °C
[Boiling point ]

312.3±15.0 °C(Predicted)
[density ]

1.564±0.06 g/cm3(Predicted)
[Fp ]

>110℃
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS (pH 7.2) (1:8): .5 mg/ml
[form ]

Crystalline Powder
[pka]

4.83±0.10(Predicted)
[color ]

White
[λmax]

320nm(CHCl3)(lit.)
[InChIKey]

ZTEATMVVGQUULZ-UHFFFAOYSA-N
[CAS DataBase Reference]

34784-05-9(CAS DataBase Reference)
[Storage Precautions]

Store under nitrogen
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

22-36-20/21/22
[Safety Statements ]

26-36/37/39-24/25
[WGK Germany ]

1
[HS Code ]

29334900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Hydrochloric acid-->Tetrahydrofuran-->Dichloromethane-->Toluene-->Triethylamine-->Sodium bicarbonate-->Pyridine-->Aluminum chloride-->Sodium borohydride-->p-Toluenesulfonic acid-->Tosyl chloride-->Ethyl chloroformate-->Titanium tetrachloride-->Trimethyl phosphite-->4-Bromobenzaldehyde-->Aminoacetaldehyde dimethyl acetal-->Potassium sodium tartrate tetrahydrate
Spectrum DetailBack Directory
[Spectrum Detail]

6-Bromoisoquinoline(34784-05-9)1HNMR
6-Bromoisoquinoline(34784-05-9)FT-IR
Hazard InformationBack Directory
[Synthesis]

Add the catalyst and p-bromoaniline to the dilute sulfuric acid, and add glycerol dropwise while controlling the temperature to 140-145°C. After the dropwise addition is completed, the dehydration reaction occurs at 140-145°C for 3 hours. Add the above reaction liquid dropwise to ice water, and then add ammonia water dropwise to adjust the pH of the system. Extract the reaction solution with toluene, concentrate the toluene phase at 150~155℃/15mmHg, and then distill the crude product to obtain the product 6-bromoisoquinoline.
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