Phenylpropiolic acid
Synonym(s):Phenylpropynoic acid
- CAS NO.：637-44-5
- Empirical Formula: C9H6O2
- Molecular Weight: 146.14
- MDL number: MFCD00004361
- EINECS: 211-285-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-18 17:01:59
What is Phenylpropiolic acid?
Chemical properties
WHITE TO SLIGHTLY BEIGE FINE CRYSTALLINE POWDER
The Uses of Phenylpropiolic acid
Phenylpropiolic Acid is used as a reagent in the high yield synthesis of 3,3-diphenylpropanoic acid derivatives via hydrophenylation and ionic hydrogenation with strong Lewis acids. It is also used in the synthesis of highly substituted aromatic rings via the alkyne-mediated approach which serve as templates for drug design.
Definition
ChEBI: An acetylenic compound that is propynoic acid in which the acetylenic hydrogen is replaced by a phenyl group.
Purification Methods
Crystallise the acid from *benzene, CCl4 (m 136o) or aqueous EtOH. The S-benzylisothiuronium salt has m 184-186o (from EtOH). [Beilstein 9 II 436, 9 III 3061, 9 IV 2327.]
Properties of Phenylpropiolic acid
| Melting point: | 135-137 °C (lit.) |
| Boiling point: | 225.74°C (rough estimate) |
| Density | 1.1674 (rough estimate) |
| refractive index | 1.5550 (estimate) |
| storage temp. | 2-8°C |
| pka | pK1:2.269 (35°C) |
| form | Fine Crystalline Powder |
| color | White to slightly beige |
| Water Solubility | freely soluble |
| BRN | 742587 |
| CAS DataBase Reference | 637-44-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Phenylpropiolic acid(637-44-5) |
| EPA Substance Registry System | 2-Propynoic acid, 3-phenyl- (637-44-5) |
Safety information for Phenylpropiolic acid
| 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 Phenylpropiolic acid
| InChIKey | XNERWVPQCYSMLC-UHFFFAOYSA-N |
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