- Chromocarb
-
- $29.00
-
2026-05-11
- CAS:4940-39-0
- Purity: 99.91%
- Supply Ability: 10g
- Chromocarb
-
- $29.00
-
2026-05-11
- CAS:4940-39-0
- Purity: 99.91%
- Supply Ability: 10g
|
| | 4-Oxo-4H-1-benzopyran-2-carboxylic acid Basic information |
| | 4-Oxo-4H-1-benzopyran-2-carboxylic acid Chemical Properties |
| Melting point | 260 °C (dec.)(lit.) | | Boiling point | 285.64°C (rough estimate) | | density | 1.3366 (rough estimate) | | refractive index | 1.5280 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | alcohol: soluble | | form | Powder | | pka | 2.28±0.20(Predicted) | | color | White to beige | | Water Solubility | sparingly soluble | | Merck | 14,2237 | | BRN | 146442 | | InChI | InChI=1S/C10H6O4/c11-7-5-9(10(12)13)14-8-4-2-1-3-6(7)8/h1-5H,(H,12,13) | | InChIKey | RVMGXWBCQGAWBR-UHFFFAOYSA-N | | SMILES | C1(C(O)=O)OC2=CC=CC=C2C(=O)C=1 | | CAS DataBase Reference | 4940-39-0(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-37/39 | | WGK Germany | 3 | | RTECS | DJ2476000 | | Hazard Note | Irritant | | HS Code | 29329990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | | Toxicity | LD50 intraperitoneal in mouse: 585mg/kg |
| | 4-Oxo-4H-1-benzopyran-2-carboxylic acid Usage And Synthesis |
| Chemical Properties | white to light yellow crystal powder | | Uses | vascular protectant | | Uses | 4-oxo-4H-1-Benzopyran-2-carboxylic Acid acts as an inhibitor of monoamine oxidase A & B. Also functions as a novel type of tyrosine phosphatase 1B inhibitor in studies, due to a structure derived from
formylchromone. | | Uses | Chromone-2-carboxylic acid is used in the cyclic form 3-oxopyrazolidino[4,52, 3]-chroman-4-one, gives the azide of chromone-2-carboxylic acid, the curtius rearrangement of which is used to synthesize a number of 2-acylaminochromones and it is an orally active antiallergic agent. | | Definition | ChEBI: 4-oxo-1-benzopyran-2-carboxylic acid is a member of chromones. | | General Description | Nasal absorption of 4-oxo-4H-1-benzopyran-2-carboxylic acid has been investigated in the male Wistar rat. | | Synthesis | Example 8 Synthesis of 4-oxo-4H-chromene-2-carboxylic acid Procedure: a mixture of diethyl oxalate (110 mL, 810 mmol) and 2'-hydroxyacetophenone (44 mL, 365 mmol) was added slowly and dropwise to a solution of sodium ethanolate (76 g, 1.11 mol) in ethanol (600 mL) over a period of 20 minutes. The reaction mixture was heated to 80 °C and maintained for 1 h, followed by cooling to room temperature. Water (500 mL) and ether (600 mL) were added to the reaction system and the pH was adjusted with concentrated hydrochloric acid to 2. The organic phase was separated and the aqueous phase was further extracted with ether (2 x 600 mL). The organic phases were combined, washed with saturated aqueous sodium chloride solution (2 x 600 mL), dried over anhydrous magnesium sulfate and concentrated to give a brown oily solid. The solid was mixed with glacial acetic acid (440 mL) and concentrated hydrochloric acid (110 mL) and heated to 85 °C for overnight reaction. After the reaction was completed, it was cooled to room temperature, diluted with water (550 mL) and the solid was collected by filtration. The solid was washed with water (2 x 125 mL) and dried in a vacuum oven to give a purple solid product (58 g, 83% yield). Melting point: 260-261 °C. 1H NMR (300 MHz, DMSO-d6) δ 8.03 (m, 1H), 7.85 (m, 1H), 7.71 (m, 1H), 7.51 (m, 1H), 6.89 (s, 1H). | | References | [1] Patent: US6469031, 2002, B1
[2] Patent: US6051586, 2000, A
[3] Zhurnal Obshchei Khimii, 1959, vol. 29, p. 1026,1029; engl. Ausg. S. 1004, 1006
[4] Helvetica Chimica Acta, 1951, vol. 34, p. 767,774
[5] Chimica Therapeutica, 1968, vol. 3, p. 270 - 273 |
| | 4-Oxo-4H-1-benzopyran-2-carboxylic acid Preparation Products And Raw materials |
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