| Company Name: |
BePharm Ltd |
| Tel: |
400-685-9117 |
| Email: |
market@bepharm.com |
|
| | Nsc21187 Basic information |
| Product Name: | Nsc21187 | | Synonyms: | Nsc21187;3-chloro-4,5-dihydroxybenzoic acid;Benzoic acid, 3-chloro-4,5-dihydroxy- | | CAS: | 87932-49-8 | | MF: | C7H5ClO4 | | MW: | 188.57 | | EINECS: | | | Product Categories: | | | Mol File: | 87932-49-8.mol |  |
| | Nsc21187 Chemical Properties |
| Boiling point | 391.7±42.0 °C(Predicted) | | density | 1.702±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | pka | 4.08±0.10(Predicted) | | Appearance | White to off-white Solid |
| | Nsc21187 Usage And Synthesis |
| Synthesis | General procedure for the synthesis of 3-chloro-4,5-dihydroxybenzoic acid from 3-chloro-4-hydroxy-5-methoxybenzoic acid:
Step (i): tribromoborane (7.86 mL, 82 mmol) was added dropwise to a stirred solution of 3-chloro-4-hydroxy-5-methoxybenzoic acid (6.61 g, 32.6 mmol) in dichloromethane (50 mL) under nitrogen protection. The reaction mixture was continued to be stirred at 0 °C for 2 h and subsequently poured in batches into ice/brine (250 mL). The aqueous phase was extracted with ethyl acetate (2 x 150 mL) and the combined organic phases were dried over magnesium sulfate and filtered. The solvent was removed by concentration under reduced pressure to give 3-chloro-4,5-dihydroxybenzoic acid (5.11 g, 79% yield). Mass spectrum (electrospray ionization, negative mode) m/z 187 [M-H] ; 1H NMR (400 MHz, DMSO-d) δ: 12.69 (1H, broad single peak), 10.14 (2H, broad single peak), 7.35 (1H, double peak), 7.32 (1H, double peak). | | References | [1] Patent: WO2011/27106, 2011, A1. Location in patent: Page/Page column 106-107
[2] Patent: US2012/149737, 2012, A1. Location in patent: Page/Page column 58
[3] Bioorganic and Medicinal Chemistry, 2018, vol. 26, # 4, p. 798 - 814 |
| | Nsc21187 Preparation Products And Raw materials |
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