2-Carboxybenzaldehyde
Synonym(s):2-Formylbenzoic acid;3-Hydroxyphthalide;Phthalaldehydic acid
- CAS NO.：119-67-5
- Empirical Formula: C8H6O3
- Molecular Weight: 150.13
- MDL number: MFCD00003336
- EINECS: 204-342-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-24 19:19:26
What is 2-Carboxybenzaldehyde?
Chemical properties
white to slightly beige crystalline powder
The Uses of 2-Carboxybenzaldehyde
2-Carboxybenzaldehyde is a carboxylated derivative of benzaldehyde which is readily converted to 2-hydroxymethyl benzoic acid by CBA dehydrogenase. 2-Carboxybenzaldehyde is a metabolite of ampicillin phthalidyl ester.
The Uses of 2-Carboxybenzaldehyde
2-Carboxybenzaldehyde is a carboxylated derivative of benzaldehyde which is readily converted to 2-hydroxymethyl benzoic acid by CBA dehydrogenase. 2-Carboxybenzaldehyde is a metabolite of ampicillin phthalidyl ester. It has been used to synthesize a series of N-substituted isoindolinones by reductive C-N coupling and intramolecular amidation with amines.
What are the applications of Application
2-Carboxybenzaldehyde is a metabolite of ampicillin phthalidyl ester
Definition
ChEBI: An aldehydic acid which consists of benzoic acid substituted by a formyl group at position 2.
Synthesis Reference(s)
Tetrahedron Letters, 14, p. 3535, 1973 DOI: 10.1016/S0040-4039(01)86963-X
The Journal of Organic Chemistry, 32, p. 3200, 1967 DOI: 10.1021/jo01285a061
Properties of 2-Carboxybenzaldehyde
| Melting point: | 94-96 °C(lit.) |
| Boiling point: | 231.65°C (rough estimate) |
| Density | 1,404 g/cm3 |
| refractive index | 1.4500 (estimate) |
| Flash point: | 198°(388°F) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Crystalline Powder |
| pka | 4.57±0.10(Predicted) |
| color | White to slightly beige |
| PH | 2 (20g/l, H2O, 20℃) |
| Water Solubility | soluble |
| Sensitive | Air Sensitive |
| BRN | 742381 |
| Stability: | Hygroscopic |
| CAS DataBase Reference | 119-67-5(CAS DataBase Reference) |
| EPA Substance Registry System | Benzoic acid, 2-formyl- (119-67-5) |
Safety information for 2-Carboxybenzaldehyde
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2-Carboxybenzaldehyde
| InChIKey | DYNFCHNNOHNJFG-UHFFFAOYSA-N |
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