3-BUTYNOIC ACID
- Product Name
- 3-BUTYNOIC ACID
- CAS No.
- 2345-51-9
- Chemical Name
- 3-BUTYNOIC ACID
- Synonyms
- But-3-ynoic acid;3-butyric acid;CHequivCCH2COOH;3-Bytynoic Acid;Ethynylacetic acid;3-Butynoic acid 95%;2-Ethynylacetic acid;3-butynoic acid(SALTDATA: FREE);3-Butynoic acid-Minimum Order 10kg;3-Butynoic acid (6CI, 7CI, 8CI, 9CI, ACI)
- CBNumber
- CB4500119
- Molecular Formula
- C4H4O2
- Formula Weight
- 84.07
- MOL File
- 2345-51-9.mol
3-BUTYNOIC ACID Property
- Melting point:
- 188-195℃
- Boiling point:
- 195℃
- Density
- 1.152
- Flash point:
- 83℃
- storage temp.
- Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform, Methanol (Slightly)
- form
- powder to crystal
- pka
- 3.62±0.10(Predicted)
- color
- White to Almost white
- λmax
- 228nm(CH2Cl2)(lit.)
- InChI
- InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H,3H2,(H,5,6)
- InChIKey
- KKAHGSQLSTUDAV-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CC#C
Safety
- Hazard Codes
- Xn,T
- Risk Statements
- 22-41-34-24/25
- Safety Statements
- 26-36-45-36/37/39
- RIDADR
- 2923
- WGK Germany
- 3
- HazardClass
- 8
- PackingGroup
- Ⅱ
- HS Code
- 29161900
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H314Causes severe skin burns and eye damage
- Precautionary statements
-
P260Do not breathe dust/fume/gas/mist/vapours/spray.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
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
- 738271
- Product name
- 3-Butynoic acid
- Purity
- 95%
- Packaging
- 1g
- Price
- $311
- Updated
- 2025/07/31
- Product number
- B4969
- Product name
- 3-Butynoic Acid
- Purity
- >95.0%(T)
- Packaging
- 200mg
- Price
- $81
- Updated
- 2025/07/31
- Product number
- B700503
- Product name
- 3-Butynoic Acid
- Packaging
- 50mg
- Price
- $50
- Updated
- 2021/12/16
- Product number
- P000396655
- Product name
- But-3-ynoic acid
- Purity
- 98%
- Packaging
- 250mg
- Price
- $24
- Updated
- 2021/12/16
- Product number
- 28620
- Product name
- 3-Butynoicacid,≥98%(Titration)Hazmat
- Purity
- ≥98%(Titration)
- Packaging
- 250MG
- Price
- $46.59
- Updated
- 2021/12/16
3-BUTYNOIC ACID Chemical Properties,Usage,Production
Uses
Some of the applications of 3-butynoic acid are:
- Synthesis of functionalized γ-butyrolactones and tetrahydrofurans via Conia-ene cyclizations.
- Synthesis of allenoates for [2+2] cycloadditions with alkenes.
- Phosphine-catalyzed synthesis of highly functionalized coumarins.
- Synthesis of various useful organotin reagents via radical hydrostannation of 3-butynoic acid.
Definition
ChEBI: A monocarboxylic acid consisting of acetylene carrying a carboxymethyl group.
Synthesis
124-38-9
106-96-7
2345-51-9
Under nitrogen protection, 120 g of 3-bromopropyne was slowly added dropwise to a 1000 ml three-necked flask containing 24 g of magnesium shavings and 300 ml of tetrahydrofuran, and the reaction was carried out for 60 min at room temperature. Subsequently, an excess of carbon dioxide was passed into the reaction system and heated to 60 °C. Upon completion of the reaction, the mixture was poured into cooled 200 ml of saturated aqueous ammonium chloride solution and extracted to separate the organic layer. The organic layer was dried with anhydrous sodium sulfate, filtered and concentrated. The crude product 3-butynoic acid was recrystallized with 50 ml of methyl tert-butyl ether and filtered to obtain crystals. After drying, 70 g of 3-butynoic acid with 98.3% purity was obtained.
IC 50
Human Endogenous Metabolite
References
[1] Patent: CN105481683, 2016, A. Location in patent: Paragraph 0021; 0022
[2] Angewandte Chemie - International Edition, 2013, vol. 52, # 35, p. 9266 - 9270
[3] Angew. Chem., 2013, vol. 125, # 35, p. 9436 - 9440
[4] Chemistry - A European Journal, 2015, vol. 21, # 14, p. 5561 - 5583
[5] Journal of the American Chemical Society, 2015, vol. 137, # 10, p. 3482 - 3485
3-BUTYNOIC ACID Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-BUTYNOIC ACID manufacturers
- Product
- but-3-ynoicacid 2345-51-9
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 97.8%
- Supply Ability
- 100 tons
- Release date
- 2022-01-14
- Product
- 3-BUTYNOIC ACID 2345-51-9
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- KG/T
- Release date
- 2019-12-19