4-Hydroxycoumarin
- CAS No.
- 1076-38-6
- Chemical Name:
- 4-Hydroxycoumarin
- Synonyms
- 4-HYDROXY-2H-CHROMEN-2-ONE;HydroxyCoumarin;4-Coumaryl alcohol;4-hydroxy-2h-1-benzopyran-2-on;COUMARINOL;4-HYDROXY-2H-1-BENZOPYRAN-2-ONE;4-Coumarinol;COUMARIN KIT;4-HydroxycouMa;4-HYDROXYCUMARIN
- CBNumber:
- CB0760607
- Molecular Formula:
- C9H6O3
- Molecular Weight:
- 162.14
- MOL File:
- 1076-38-6.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/6/26 10:29:24
| Melting point | 211-213 °C (lit.) |
|---|---|
| Boiling point | 228.82°C (rough estimate) |
| Density | 1.1734 (rough estimate) |
| vapor pressure | 0.02Pa at 25℃ |
| refractive index | 1.4500 (estimate) |
| storage temp. | Store below +30°C. |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Liquid |
| pka | 4.50±1.00(Predicted) |
| color | Clear colorless to slightly yellow |
| Odor | Very faint woody-medicinal odor with a with Aluminum chloride. nut-like, hcrbaccous tone |
| Water Solubility | PRACTICALLY INSOLUBLE |
| BRN | 129768 |
| InChIKey | VXIXUWQIVKSKSA-UHFFFAOYSA-N |
| LogP | 1.6-2.31 at 21.2℃ |
| CAS DataBase Reference | 1076-38-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Hydroxycoumarin(1076-38-6) |
| EPA Substance Registry System | 2H-1-Benzopyran-2-one, 4-hydroxy- (1076-38-6) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302 | |||||||||
| Precautionary statements | P264-P270-P301+P312-P501 | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 22-36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | DJ3100000 | |||||||||
| Hazard Note | Irritant | |||||||||
| TSCA | Yes | |||||||||
| HS Code | 29322980 | |||||||||
| NFPA 704 |
|
4-Hydroxycoumarin price More Price(8)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | H23805 | 4-Hydroxycoumarin 98% | 1076-38-6 | 100G | ₹3418.8 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | H23805 | 4-Hydroxycoumarin 98% | 1076-38-6 | 500G | ₹10489.5 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 40863 | 4-Hydroxycoumarin analytical standard | 1076-38-6 | 100MG | ₹6256.85 | 2022-06-14 | Buy |
| TCI Chemicals (India) | H0235 | 4-Hydroxycoumarin min. 98.0 % | 1076-38-6 | 25G | ₹3300 | 2022-05-26 | Buy |
| TCI Chemicals (India) | H0235 | 4-Hydroxycoumarin min. 98.0 % | 1076-38-6 | 250G | ₹13500 | 2022-05-26 | Buy |
4-Hydroxycoumarin Chemical Properties,Uses,Production
Chemical Properties
Yellow powder or chunks or Slightly yellow needle-like crystals. freely soluble in ethanol, ether and hot water. brown in color with ferric chloride.
Uses
4-Hydroxycoumarin is a plant derived antioxidant, protecting against lipid peroxidation, as well as a potential inhibitor of HIV-1 Integrase. 4-Hydroxycoumarins are a very important class of biologically active drugs which are widely used as anticoagulants-Warfarin and Acenocoumarol.
Uses
4-Hydroxycoumarin may be regarded as a phenylenetetronic acid , and like tetronic acid forms condensation products with aldehydes.
Synthesis of biscoumarin derivatives by the reaction of aldehydes and 4-hydroxycoumarin using ruthenium(III) chloride hydrate as a versatile homogeneous catalyst.
Definition
ChEBI: 4-hydroxycoumarin is a hydroxycoumarin that is coumarin in which the hydrogen at position 4 is replaced by a hydroxy group. It is a conjugate acid of a 4-hydroxycoumarin(1-).
Synthesis
4-Hydroxycoumarin is prepared by the reaction of o-hydroxyacetophenone and Diethyl carbonate. The steps are as follows:
General procedure: To a stirred mixture (1.15 mmol) and sodium hydride (138 mg, 5.75 mmol) in 5 ml dry toluene, a solution of the diethyl carbonate (1.15 mmol) in dry toluene was dropped. The mixture was reacted at 0°C for 30 min, then heated to reflux and reacted for another 4 h. The reaction mixture was quenched with water (20 mL) at ice bath and neutralized to pH 7 with 2 N HCl. The precipitate was filtered, washed with cold water and dried to get 6a-f. 1.2.1.1. 4-Hydroxy-2H-chromen-2-one (6a) White solidyield: 95; 1H NMR (600 MHz, DMSO-d6) δ 12.53 (s, 1H), 7.83 (d, J = 7.2 Hz, 1H), 7.65 (d, J = 7.8 Hz, 1H), 7.38-7.34 (m, 2H), 5.60 (s, 1H).
Purification Methods
Crystallise 4-hydroxycoumarin from water and dry it in a vacuum desiccator over pKEst Sicapent. [Beilstein 18/1 V 378.]
4-Hydroxycoumarin Preparation Products And Raw materials
Raw materials
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chevron_rightPreparation Products
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