1H,5H,11H-(1)Benzopyrano(6,7,8-ij)quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, ethyl ester
ethyl 2,3,6,7-tetrahydro-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxylate
CAS: 55804-66-5
Molecular Formula: C18H19NO4
1H,5H,11H-(1)Benzopyrano(6,7,8-ij)quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, ethyl ester - Names and Identifiers
1H,5H,11H-(1)Benzopyrano(6,7,8-ij)quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, ethyl ester - Physico-chemical Properties
| Molecular Formula | C18H19NO4 |
| Molar Mass | 313.35 |
| Density | 1.2389 (rough estimate) |
| Melting Point | 140-144°C(lit.) |
| Boling Point | 453.15°C (rough estimate) |
| Flash Point | 281.9°C |
| Vapor Presure | 7.83E-12mmHg at 25°C |
| Appearance | Crystalline Powder |
| Color | Yellow |
| pKa | 5.37±0.40(Predicted) |
| Storage Condition | Room Temprature |
| Refractive Index | 1.5100 (estimate) |
| MDL | MFCD00051334 |
1H,5H,11H-(1)Benzopyrano(6,7,8-ij)quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, ethyl ester - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| HS Code | 29322985 |
1H,5H,11H-(1)Benzopyrano(6,7,8-ij)quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, ethyl ester - Reference Information
| overview | coumarin 314 is a fluorescent dye. Coumarin fluorescent dyes are one of the most important fluorescent dyes. Coumarin fluorescent dyes are widely used in fluorescent dyes due to their large fluorescence quantum yield, large Stokes shift and good light stability. Naphthalimide fluorescent dyes are also one of the important fluorescent dyes. Similarly, naphthalimide also has the characteristics of high fluorescence quantum yield, large Stokes shift and good light stability, which makes it also have good applications in fluorescent dyes. |
| preparation | step 1: dissolve 5.5g compound 1 in 200mL of ethanol, add 2.4mL n-butylamine while stirring, react at 90 ℃ for 12 hours, cool to room temperature, and precipitate a large number of needle crystals to form compound 2; step 2: dissolve the obtained compound 2(2.0g) in 10mL of ethylene glycol methyl ether, add hydrazine hydrate (80%,2mL) dropwise while stirring, and react at 120 ℃ for 4h to filter to obtain compound 3; Step 3: Dissolve the obtained compound 3(1.0g) in 20mL of 3-methyl -2-butanone, stir until dissolved, slowly add 1.5 mL of concentrated sulfuric acid dropwise, and react at 90 ℃ for 4 hours, after the excess solvent is removed by rotary evaporation, 5 mL of ethanol is added, and placed for 30min, a large amount of precipitate is precipitated, filter cake is dispersed into 5 mL of ethanol, a small amount of ammonia is added dropwise to stir, suspension is dropwise added to water to obtain precipitate, and compound 4 is obtained by suction filtration; Step 4:8mLDMF is slowly added to 2.66mLPOCl3 in ice bath, stirred for 15min,4.6g compound 5 is dissolved in 5mLDMF, the solution is slowly added dropwise to the above solution, stirred in an ice bath for half an hour, then heated to 70 ℃ for stirring for 2 hours, then cooled to room temperature after the reaction, then poured the reaction solution into 25mL of water, and filtered to obtain compound 6; Step 5: Dissolve the obtained compound 6(3.86g) with 30mL of ethanol, add 6.4mL of diethyl malonate and 1.5 mL of piperidine, and react at 85 ℃ for 3 hours, compound 7 is obtained by rotary evaporation to remove excess solvent; Compound 7 is coumarin 314. |
| EPA chemical information | information provided by: ofmpub.epa.gov (external link) |
Last Update：2024-04-09 15:16:36
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Product Name: ethyl 2,3,6,7-tetrahydro-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxylate Request for quotationCAS: 55804-66-5
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