2-Bromo-6-ethoxycarbonylbenzothiazole
- CAS No.
- 99073-88-8
- Chemical Name:
- 2-Bromo-6-ethoxycarbonylbenzothiazole
- Synonyms
- ethyl 2-bromobenzo[d]thiazole-6-carboxylate;2-Bromo-6-ethoxycarbonylbenzothiazole;2-BROMOBENZOTHIAZOLE-6-CARBOXYLIC ACID;Ethyl 2-bromobenzothiazole-6-carboxylate;Ethyl 2-bromo-6-benzothiazolecarboxylate;ethyl 2-broMo-1,3-benzothiazole-6-carboxylate;2-BroMo-benzothiazole-6-carboxylic acid ethyl ester;6-Benzothiazolecarboxylic acid, 2-bromo-, ethyl ester;2-Bromo-1,3-benzothiazole-6-carboxylic acid ethyl ester;JR-14054, Ethyl 2-bromobenzo[d]thiazole-6-carboxylate, 95%
- CBNumber:
- CB2814401
- Molecular Formula:
- C10H8BrNO2S
- Molecular Weight:
- 286.14
- MDL Number:
- MFCD08669850
- MOL File:
- 99073-88-8.mol
- MSDS File:
- SDS
| Boiling point | 377.6±34.0 °C(Predicted) |
|---|---|
| Density | 1.618±0.06 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| form | solid |
| pka | -1.37±0.10(Predicted) |
| Appearance | Light yellow to yellow Solid |
| InChI | 1S/C10H8BrNO2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3 |
| InChIKey | JQZQKEZCRZNJPC-UHFFFAOYSA-N |
| SMILES | CCOC(C1=CC2=C(N=C(S2)Br)C=C1)=O |
| UNSPSC Code | 12352200 |
| NACRES | NA.21 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H315-H319 |
| Precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
| RIDADR | UN2811 |
| HS Code | 2934208090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |
2-Bromo-6-ethoxycarbonylbenzothiazole price More Price(46)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Apolloscientific | OR480384 | ethyl 2-bromo-1,3-benzothiazole-6-carboxylate 97% | 99073-88-8 | 100mg | $21 | 2026-06-04 | Buy |
| Apolloscientific | OR480384 | ethyl 2-bromo-1,3-benzothiazole-6-carboxylate 97% | 99073-88-8 | 250mg | $25 | 2026-06-04 | Buy |
| Apolloscientific | OR480384 | ethyl 2-bromo-1,3-benzothiazole-6-carboxylate 97% | 99073-88-8 | 1g | $36 | 2026-06-04 | Buy |
| Apolloscientific | OR480384 | ethyl 2-bromo-1,3-benzothiazole-6-carboxylate 97% | 99073-88-8 | 5g | $115 | 2026-06-04 | Buy |
| Apolloscientific | OR480384 | ethyl 2-bromo-1,3-benzothiazole-6-carboxylate 97% | 99073-88-8 | 10g | $224 | 2026-06-04 | Buy |
2-Bromo-6-ethoxycarbonylbenzothiazole Chemical Properties, Uses, Production
Uses
2-Bromobenzothiazole-6-carboxylic acid ethyl ester can be used as a pharmaceutical synthesis intermediate.
Synthesis
50850-93-6
99073-88-8
General procedure for the synthesis of ethyl 2-bromobenzothiazole-6-carboxylate from ethyl 2-aminobenzothiazole-6-carboxylate: commercially available ethyl 2-aminobenzothiazole-6-carboxylate (10 g, 45 mmol) was dissolved in acetonitrile (40 mL), and this solution was then added to a solution containing copper(II) bromide (12 g, 54 mmol) and tert-butyl nitrite (9 mL, 75 mmol) in a solution of acetonitrile (100 mL). The reaction was carried out at room temperature and under nitrogen protection with continuous stirring for 45 min. Upon completion of the reaction, the reaction mixture was diluted with 1N HCl (300 mL) and subsequently extracted with dichloromethane (3 x 300 mL). The organic extracts were combined, washed with water (300 mL), dried with anhydrous magnesium sulfate, filtered through a silica gel plug, and finally the solvent was removed under reduced pressure to afford the target product ethyl 2-bromobenzothiazole-6-carboxylate (Step 1) as an off-white solid (11.5 g, 89% yield). The product was characterized by 1H NMR (CDCl3): δ 1.40 (t, 3H), 4.40 (q, 2H), 8.00 (d, 1H), 8.20 (d, 1H), 8.60 (s, 1H).
References
[1] Patent: EP2766359, 2016, B1. Location in patent: Paragraph 0319
[2] Patent: WO2004/63155, 2004, A1. Location in patent: Page 148-149
[3] Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 6, p. 1874 - 1879
[4] Yakugaku Zasshi, 1958, vol. 78, p. 437
[5] Chem.Abstr., 1958, p. 14589
2-Bromo-6-ethoxycarbonylbenzothiazole Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| Pure Chemistry Scientific Inc. | 001-857-928-2050 or 1-888-588-9418 | sales@chemreagents.com | United States | 10174 | 62 |
| Shanghai Xiannuo Biotechnology Co., Ltd. | 021-50718719 13918719472 | China | 978 | 58 | |
| Chiba Pharmaceutical Science and technology Co, Ltd. | 0531-81313138 13066006660 | chibapharm@foxmail.com | China | 3996 | 55 |
| Shanghai Topbiochem Technology Co., Ltd | +86-21-60341587 | sales@topbiochem.com | China | 6166 | 58 |
| SuZhou ShiYa Biopharmaceuticals, Inc. | 86(512)5235 8471 17715136450 | sales@shiyabiopharm.com | China | 4167 | 58 |
| Shanghai Witofly Chemical Co.,Ltd | sales@witofly.com | China | 2853 | 52 | |
| Bide Pharmatech Ltd. | 400-164-7117 18317119277 | product02@bidepharm.com | China | 40000 | 60 |
| Wuhan Chemduro Pharm Tech Co. Ltd. | 18040571231/1402788087 | China | 1972 | 58 | |
| ShangHai Yuchuan Pharmaceutical Technology Co., Ltd. | 02161555100 | China | 820 | 58 |
