| Identification | Back Directory | [Name]
6-Bromo-1-chloroisoquinoline | [CAS]
205055-63-6 | [Synonyms]
6-Bromo-1-chL
1-Chloro-6-bromoisoquinoline
6-BROMO-1-CHLORO-ISOQUINOLINE
1-chloro -6-broMideisoquinoline
Isoquinoline, 6-bromo-1-chloro-
6-Bromo-1-chloroisoquinoline ISO 9001：2015 REACH
6-Bromo-1-chloroisoquinoline
1-Chloro-6-bromoisoquinoline | [EINECS(EC#)]
809-114-2 | [Molecular Formula]
C9H5BrClN | [MDL Number]
MFCD06738661 | [MOL File]
205055-63-6.mol | [Molecular Weight]
242.5 |
| Chemical Properties | Back Directory | [Boiling point ]
349.5±22.0 °C(Predicted) | [density ]
1.673 | [storage temp. ]
Inert atmosphere,2-8°C | [form ]
powder | [pka]
1.48±0.38(Predicted) | [color ]
Light yellow to yellow | [InChI]
InChI=1S/C9H5BrClN/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H | [InChIKey]
VOAHGGQULSSGQW-UHFFFAOYSA-N | [SMILES]
C1(Cl)C2=C(C=C(Br)C=C2)C=CN=1 |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow solid | [Uses]
6-Bromo-1-chloroisoquinoline has been used as a reactant in the preparation of phenylimidazoles as Smoothened antagonists. | [Synthesis]
N-oxide 6-bromoisoquinoline (1.82 g, 8.12 mmol) was dissolved in dry DCM (80 mL), POCl3 (1.12 ml, 1.5 eq) was added dropwise at RT. The reaction was heated to 45°C for 2 hours. After cooling down the reaction to RT, DCM and excessive POCl3 were removed under the vacuum. The crude was re-dissolved into 100mL DCM and was washed by saturated Na2CO3, water and brine. The separated organic layer was dried over Na2SO4, and concentrated to give brown solid. The crude was purified by flash column using 2% MeOH in DCM to get the pale yellow solid 6-Bromo-1-chloroisoquinoline.
 | [References]
[1] European Journal of Organic Chemistry, 2016, vol. 2016, # 8, p. 1606 - 1611
[2] Patent: WO2013/185353, 2013, A1. Location in patent: Page/Page column 27
[3] Patent: WO2014/165232, 2014, A1. Location in patent: Paragraph 0202; 0203
[4] Patent: US2015/119387, 2015, A1. Location in patent: Paragraph 0203; 0204
[5] Patent: JP2017/95498, 2017, A. Location in patent: Paragraph 0122; 0123 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
|
| Telephone: |
0573-85285100 18627885956 |
| Website: |
https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
| Company Name: |
Shangchem Co., Ltd.
|
| Telephone: |
+86-21-68182121 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList14031/0_EN.htm |
| Company Name: |
ZEROSCHEM.CO.,LTD.
|
| Telephone: |
10-61256048 13810278579; |
| Website: |
http://www.zeroschem.com |
| Company Name: |
Shanghai Ennopharm Co., Ltd.
|
| Telephone: |
+86 (21) 6435-5022 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList13640/0_EN.htm |
| Company Name: |
skychemical Co.Ltd
|
| Telephone: |
021-20958197 20965099 |
| Website: |
www.skychemical.com |
|