1-(1-methylethyl)isoquinoline
8-bromoisoquinoline
CAS: 63927-22-0
Molecular Formula: C9H6BrN
1-(1-methylethyl)isoquinoline - Names and Identifiers
| Name | 8-bromoisoquinoline |
| Synonyms | 8-BromoisoquinoL 8-BROMOISOQUINOLINE 8-bromoisoquinoline Isoquinoline, 8-bromo- 1-(1-methylethyl)isoquinoline |
| CAS | 63927-22-0 |
| EINECS | 689-822-4 |
| InChI | InChI=1/C12H13N/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12/h3-9H,1-2H3 |
| InChIKey | DPRIHFQFWWCIGY-UHFFFAOYSA-N |
1-(1-methylethyl)isoquinoline - Physico-chemical Properties
| Molecular Formula | C9H6BrN |
| Molar Mass | 208.05 |
| Density | 1.564±0.06 g/cm3(Predicted) |
| Melting Point | 80,5 C |
| Boling Point | 312.3±15.0 °C(Predicted) |
| Flash Point | 111.3°C |
| Vapor Presure | 0.0101mmHg at 25°C |
| Appearance | Crystalline powder |
| Color | Light orange to Yellow to Green |
| pKa | 4.63±0.23(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.59 |
| MDL | MFCD04973298 |
1-(1-methylethyl)isoquinoline - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R25 - Toxic if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | 2811 |
| HS Code | 29334900 |
| Hazard Note | Irritant |
| Hazard Class | 6.1 |
| Packing Group | Ⅲ |
1-(1-methylethyl)isoquinoline - Reference Information
| Introduction | 8-bromoisoquinoline is a pale yellow-yellow solid powder at normal temperature and pressure, which can be used to make dyes, pesticides, etc. In the synthetic conversion, the bromine unit in the structure can be easily converted into an aryl group, an alkyl group, etc. by a Suzuki coupling reaction. In addition, the bromine atom can also be converted into boric acid or boric acid ester, and by virtue of the diverse conversion properties of boron units, diverse derivatization applications of 8-bromoisoquinoline can be realized. |
| Use | 8-bromoisoquinoline belongs to isoquinoline derivatives, with a certain degree of alkalinity, can be used mainly for drugs, the synthesis of dyes can also be used as pesticides and Analytical reagents. |
| synthesis method | at 0 degree, 143g of bromobenzaldehyde aminoacetal was added to 15.89G of concentrated sulfuric acid, the resulting mixture was added in portions over 5 minutes to a mixture of 10g of concentrated sulfuric acid and 20g of phosphoric anhydride maintained at 160 ° C. Under mechanical stirring. After stirring at 160 °c for 25 min, the reaction mixture was cooled, poured on ice and washed with ml of ether, the aqueous layer basified to pH = 10 with solid NaOH and extracted repeatedly with EtOAc. The combined EtOAc layers were washed with brine, dried over sodium sulfate, filtered and concentrated in vacuo by flash chromatography silica gel, gradient elution 0.5-3% (10% NH4OH:MeOH) CH2Cl2) purification gave 8-bromoisoquinoline. Figure 18-synthesis of bromoisoquinoline |
Last Update：2024-04-09 02:00:10
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