ChemicalBook > CAS DataBase List > 3-BUTYNOIC ACID

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
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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
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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
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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.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
738271
Product name
3-Butynoic acid
Purity
95%
Packaging
1g
Price
$311
Updated
2025/07/31
TCI Chemical
Product number
B4969
Product name
3-Butynoic Acid
Purity
>95.0%(T)
Packaging
200mg
Price
$81
Updated
2025/07/31
TRC
Product number
B700503
Product name
3-Butynoic Acid
Packaging
50mg
Price
$50
Updated
2021/12/16
Ark Pharm
Product number
P000396655
Product name
But-3-ynoic acid
Purity
98%
Packaging
250mg
Price
$24
Updated
2021/12/16
Chem-Impex
Product number
28620
Product name
3-Butynoicacid,≥98%(Titration)Hazmat
Purity
≥98%(Titration)
Packaging
250MG
Price
$46.59
Updated
2021/12/16
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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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3-BUTYNOIC ACID Suppliers

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View Lastest Price from 3-BUTYNOIC ACID manufacturers

Honest Joy Holdings Limited
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
Career Henan Chemical Co
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

2345-51-9, 3-BUTYNOIC ACIDRelated Search:


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  • 3-Butynoic acid 95%
  • 3-Bytynoic Acid
  • 3-Butynoic acid (6CI, 7CI, 8CI, 9CI, ACI)
  • 3-Butynoic acid-Minimum Order 10kg
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  • 2345-51-9