Phenylpropiolic acid
- Product Name
- Phenylpropiolic acid
- CAS No.
- 637-44-5
- Chemical Name
- Phenylpropiolic acid
- Synonyms
- 3-Phenylpropiolic acid;PHENYLPROPYNOIC ACID;Benzenepropiolic acid;3-PHENYLPROPYNOIC ACID;RARECHEM AL BE 0668;phenylpropanic acid;PHENYLPROPIOLIC ACID;3-phenyl-2-propynoate;Phenylpropioplic Acid;B-PHENYLPROPIOLIC ACID
- CBNumber
- CB6290870
- Molecular Formula
- C9H6O2
- Formula Weight
- 146.14
- MOL File
- 637-44-5.mol
Phenylpropiolic acid Property
- 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
- form
- Fine Crystalline Powder
- pka
- pK1:2.269 (35°C)
- color
- White to slightly beige
- Water Solubility
- freely soluble
- BRN
- 742587
- InChI
- InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)
- InChIKey
- XNERWVPQCYSMLC-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C#CC1=CC=CC=C1
- 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
- Hazard Codes
- Xi
- Risk Statements
- 36/37/38
- Safety Statements
- 26-36-24/25
- WGK Germany
- 3
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29163900
- Storage Class
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- P31205
- Product name
- Phenylpropiolic acid
- Purity
- 99%
- Packaging
- 5g
- Price
- $50.4
- Updated
- 2026/03/19
- Product number
- P31205
- Product name
- Phenylpropiolic acid
- Purity
- 99%
- Packaging
- 25g
- Price
- $119
- Updated
- 2026/03/19
- Product number
- P0610
- Product name
- Phenylpropiolic Acid
- Purity
- >98.0%(T)
- Packaging
- 5g
- Price
- $59
- Updated
- 2026/03/19
- Product number
- P0610
- Product name
- Phenylpropiolic Acid
- Purity
- >98.0%(T)
- Packaging
- 25g
- Price
- $211
- Updated
- 2026/03/19
- Product number
- P336305
- Product name
- Phenylpropiolic Acid
- Packaging
- 10g
- Price
- $165
- Updated
- 2021/12/16
Phenylpropiolic acid Chemical Properties,Usage,Production
Chemical Properties
WHITE TO SLIGHTLY BEIGE FINE CRYSTALLINE POWDER
Uses
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.
Synthesis
Add phenylacetylene 6 mmol and ultra-dry tetrahydrofuran 25-30 mL in a 100 mL reaction flask, followed by evacuation treatment, N2 protection, put the reaction flask into an ethanol solution at -78C, and then continue to add n-butyllithium 6 mmol, and after 1-1.5 h of reaction, access to a carbon dioxide balloon (inserted into the liquid level), and after 3-4 h of reaction, change the carbon dioxide balloon once again After 3-4 h of reaction, the reaction was replaced with another carbon dioxide balloon, and the reaction was carried out overnight. Afterwards, the reaction bottle was removed and stirred at room temperature to room temperature, 20mL of saturated ammonium chloride solution was added to the reaction bottle, and stirring was continued for 20-30 minutes. At the end of the reaction, it was first extracted with ether (220mL), and the aqueous phase was taken and the pH was adjusted to about 3 with dilute hydrochloric acid, and then ethyl acetate (220mL) was used, and the product phenylpropiolic acid was obtained by spin-drying at low pressure.
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.]
Phenylpropiolic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Phenylpropiolic acid manufacturers
- Product
- Phenylpropiolic acid 637-44-5
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 10 mt
- Release date
- 2024-11-18
- Product
- Phenylpropiolic acid 637-44-5
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 500000kg
- Release date
- 2024-11-01
- Product
- Phenylpropiolic acid 637-44-5
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 10000KGS
- Release date
- 2025-03-01